1H, 13C, and 15N Peak Assignments of Human Macrophage Metalloelastase, in its inhibitor-free state
FREMPGGPVW RKHYITYRIN NYTPDMNRED VDYAIRKAFQ VWSNVTPLKF SKINTGMADI LVVFARGAHG DFHAFDGKGG ILAHAFGPGS GIGGDAHFDE DEFWTTHSGG TNLFLTAVHA IGHSLGLGHS SDPKAVMFPT YKYVDINTFR LSADDIRGIQ SLYG
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 87.0 % (1633 of 1876) | 85.1 % (818 of 961) | 87.0 % (649 of 746) | 98.2 % (166 of 169) |
Backbone | 94.7 % (919 of 970) | 96.8 % (330 of 341) | 92.2 % (435 of 472) | 98.1 % (154 of 157) |
Sidechain | 81.2 % (853 of 1050) | 78.7 % (488 of 620) | 84.4 % (353 of 418) | 100.0 % (12 of 12) |
Aromatic | 66.1 % (164 of 248) | 66.9 % (83 of 124) | 64.5 % (78 of 121) | 100.0 % (3 of 3) |
Methyl | 90.1 % (146 of 162) | 93.8 % (76 of 81) | 86.4 % (70 of 81) |
1. MMP-12
FREMPGGPVW RKHYITYRIN NYTPDMNRED VDYAIRKAFQ VWSNVTPLKF SKINTGMADI LVVFARGAHG DFHAFDGKGG ILAHAFGPGS GIGGDAHFDE DEFWTTHSGG TNLFLTAVHA IGHSLGLGHS SDPKAVMFPT YKYVDINTFR LSADDIRGIQ SLYGTemperature 299 (±1) K, pH 6.6 (±0.05)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | MMP-12 | [U-13C; U-15N] | protein | 0.55 mM |
Temperature 299 (±1) K, pH 6.6 (±0.05)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
2 | MMP-12 | [U-15N] | protein | 0.45 mM |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | null | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | null | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | null | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | null | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | null | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | null | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | null | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | null | indirect | 0.1013291 |
#1 Model Varian INOVA (600 MHz) Details Triple Resonance Single-axis gradient Cryoprobe for most experiments
#2 Model Bruker DRX (500 MHz) Details Triple Resonance experiments
Temperature 299 (±1) K, pH 6.6 (±0.05)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | MMP-12 | [U-13C; U-15N] | protein | 0.55 mM |
Temperature 299 (±1) K, pH 6.6 (±0.05)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
2 | MMP-12 | [U-15N] | protein | 0.45 mM |
#1 Model Varian INOVA (600 MHz) Details Triple Resonance Single-axis gradient Cryoprobe for most experiments
#2 Model Bruker DRX (500 MHz) Details Triple Resonance experiments
Temperature 299 (±1) K, pH 6.6 (±0.05)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | MMP-12 | [U-13C; U-15N] | protein | 0.55 mM |
Temperature 299 (±1) K, pH 6.6 (±0.05)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
2 | MMP-12 | [U-15N] | protein | 0.45 mM |
#1 Model Varian INOVA (600 MHz) Details Triple Resonance Single-axis gradient Cryoprobe for most experiments
#2 Model Bruker DRX (500 MHz) Details Triple Resonance experiments
Temperature 299 (±1) K, pH 6.6 (±0.05)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | MMP-12 | [U-13C; U-15N] | protein | 0.55 mM |
Temperature 299 (±1) K, pH 6.6 (±0.05)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
2 | MMP-12 | [U-15N] | protein | 0.45 mM |
#1 Model Varian INOVA (600 MHz) Details Triple Resonance Single-axis gradient Cryoprobe for most experiments
#2 Model Bruker DRX (500 MHz) Details Triple Resonance experiments
Temperature 299 (±1) K, pH 6.6 (±0.05)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | MMP-12 | [U-13C; U-15N] | protein | 0.55 mM |
Temperature 299 (±1) K, pH 6.6 (±0.05)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
2 | MMP-12 | [U-15N] | protein | 0.45 mM |
#1 Model Varian INOVA (600 MHz) Details Triple Resonance Single-axis gradient Cryoprobe for most experiments
#2 Model Bruker DRX (500 MHz) Details Triple Resonance experiments
Temperature 299 (±1) K, pH 6.6 (±0.05)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | MMP-12 | [U-13C; U-15N] | protein | 0.55 mM |
Temperature 299 (±1) K, pH 6.6 (±0.05)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
2 | MMP-12 | [U-15N] | protein | 0.45 mM |
#1 Model Varian INOVA (600 MHz) Details Triple Resonance Single-axis gradient Cryoprobe for most experiments
#2 Model Bruker DRX (500 MHz) Details Triple Resonance experiments
Temperature 299 (±1) K, pH 6.6 (±0.05)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | MMP-12 | [U-13C; U-15N] | protein | 0.55 mM |
Temperature 299 (±1) K, pH 6.6 (±0.05)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
2 | MMP-12 | [U-15N] | protein | 0.45 mM |
#1 Model Varian INOVA (600 MHz) Details Triple Resonance Single-axis gradient Cryoprobe for most experiments
#2 Model Bruker DRX (500 MHz) Details Triple Resonance experiments
Temperature 299 (±1) K, pH 6.6 (±0.05)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | MMP-12 | [U-13C; U-15N] | protein | 0.55 mM |
Temperature 299 (±1) K, pH 6.6 (±0.05)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
2 | MMP-12 | [U-15N] | protein | 0.45 mM |
#1 Model Varian INOVA (600 MHz) Details Triple Resonance Single-axis gradient Cryoprobe for most experiments
#2 Model Bruker DRX (500 MHz) Details Triple Resonance experiments
Temperature 299 (±1) K, pH 6.6 (±0.05)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | MMP-12 | [U-13C; U-15N] | protein | 0.55 mM |
Temperature 299 (±1) K, pH 6.6 (±0.05)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
2 | MMP-12 | [U-15N] | protein | 0.45 mM |
#1 Model Varian INOVA (600 MHz) Details Triple Resonance Single-axis gradient Cryoprobe for most experiments
#2 Model Bruker DRX (500 MHz) Details Triple Resonance experiments
Temperature 299 (±1) K, pH 6.6 (±0.05)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | MMP-12 | [U-13C; U-15N] | protein | 0.55 mM |
Temperature 299 (±1) K, pH 6.6 (±0.05)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
2 | MMP-12 | [U-15N] | protein | 0.45 mM |
#1 Model Varian INOVA (600 MHz) Details Triple Resonance Single-axis gradient Cryoprobe for most experiments
#2 Model Bruker DRX (500 MHz) Details Triple Resonance experiments
Temperature 299 (±1) K, pH 6.6 (±0.05)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | MMP-12 | [U-13C; U-15N] | protein | 0.55 mM |
Temperature 299 (±1) K, pH 6.6 (±0.05)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
2 | MMP-12 | [U-15N] | protein | 0.45 mM |
#1 Model Varian INOVA (600 MHz) Details Triple Resonance Single-axis gradient Cryoprobe for most experiments
#2 Model Bruker DRX (500 MHz) Details Triple Resonance experiments
Temperature 299 (±1) K, pH 6.6 (±0.05)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | MMP-12 | [U-13C; U-15N] | protein | 0.55 mM |
Temperature 299 (±1) K, pH 6.6 (±0.05)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
2 | MMP-12 | [U-15N] | protein | 0.45 mM |
#1 Model Varian INOVA (600 MHz) Details Triple Resonance Single-axis gradient Cryoprobe for most experiments
#2 Model Bruker DRX (500 MHz) Details Triple Resonance experiments
Temperature 299 (±1) K, pH 6.6 (±0.05)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | MMP-12 | [U-13C; U-15N] | protein | 0.55 mM |
Temperature 299 (±1) K, pH 6.6 (±0.05)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
2 | MMP-12 | [U-15N] | protein | 0.45 mM |
#1 Model Varian INOVA (600 MHz) Details Triple Resonance Single-axis gradient Cryoprobe for most experiments
#2 Model Bruker DRX (500 MHz) Details Triple Resonance experiments
Temperature 299 (±1) K, pH 6.6 (±0.05)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | MMP-12 | [U-13C; U-15N] | protein | 0.55 mM |
Temperature 299 (±1) K, pH 6.6 (±0.05)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
2 | MMP-12 | [U-15N] | protein | 0.45 mM |
#1 Model Varian INOVA (600 MHz) Details Triple Resonance Single-axis gradient Cryoprobe for most experiments
#2 Model Bruker DRX (500 MHz) Details Triple Resonance experiments
Temperature 299 (±1) K, pH 6.6 (±0.05)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | MMP-12 | [U-13C; U-15N] | protein | 0.55 mM |
Temperature 299 (±1) K, pH 6.6 (±0.05)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
2 | MMP-12 | [U-15N] | protein | 0.45 mM |
#1 Model Varian INOVA (600 MHz) Details Triple Resonance Single-axis gradient Cryoprobe for most experiments
#2 Model Bruker DRX (500 MHz) Details Triple Resonance experiments
Temperature 299 (±1) K, pH 6.6 (±0.05)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | MMP-12 | [U-13C; U-15N] | protein | 0.55 mM |
Temperature 299 (±1) K, pH 6.6 (±0.05)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
2 | MMP-12 | [U-15N] | protein | 0.45 mM |
#1 Model Varian INOVA (600 MHz) Details Triple Resonance Single-axis gradient Cryoprobe for most experiments
#2 Model Bruker DRX (500 MHz) Details Triple Resonance experiments
Temperature 299 (±1) K, pH 6.6 (±0.05)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | MMP-12 | [U-13C; U-15N] | protein | 0.55 mM |
Temperature 299 (±1) K, pH 6.6 (±0.05)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
2 | MMP-12 | [U-15N] | protein | 0.45 mM |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Dihedral angle restraints | combined_7089_2mls.nef |
Input source #2: Coordindates | 2mls.cif |
Diamagnetism of the molecular assembly | False (excluding Oxygen atoms) |
Whether the assembly has a disulfide bond | None |
Whether the assembly has a other bond | True (see coodinates for details) |
Whether the assembly contains a cyclic polymer | None |
Overall data processing status | Warning |
Disulfide bonds
NoneOther bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)
Ptnr_site_1 | Ptnr_site_2 | Redox_state_prediction_1 | Redox_state_prediction_2 | Distance (Å) |
---|---|---|---|---|
1:71:ASP:OD2 | 2:2:ZN:ZN | unknown | unknown | n/a |
1:73:HIS:ND1 | 2:2:ZN:ZN | unknown | unknown | n/a |
1:99:ASP:OD2 | 3:1:CA:CA | unknown | unknown | n/a |
1:102:GLU:OE1 | 3:1:CA:CA | unknown | unknown | n/a |
1:95:ASP:OD1 | 3:2:CA:CA | unknown | unknown | n/a |
1:69:HIS:NE2 | 2:2:ZN:ZN | unknown | unknown | n/a |
1:25:ASP:OD1 | 3:3:CA:CA | unknown | unknown | n/a |
1:84:HIS:ND1 | 2:2:ZN:ZN | unknown | unknown | n/a |
1:25:ASP:OD2 | 3:3:CA:CA | unknown | unknown | n/a |
1:76:ASP:OD1 | 3:1:CA:CA | unknown | unknown | n/a |
1:81:ILE:O | 3:1:CA:CA | unknown | unknown | n/a |
1:119:HIS:ND1 | 2:1:ZN:ZN | unknown | unknown | n/a |
1:79:GLY:O | 3:1:CA:CA | unknown | unknown | n/a |
1:100:GLU:O | 3:3:CA:CA | unknown | unknown | n/a |
1:77:GLY:O | 3:1:CA:CA | unknown | unknown | n/a |
1:91:GLY:O | 3:2:CA:CA | unknown | unknown | n/a |
1:59:ASP:O | 3:2:CA:CA | unknown | unknown | n/a |
1:76:ASP:OD2 | 3:1:CA:CA | unknown | unknown | n/a |
1:93:GLY:O | 3:2:CA:CA | unknown | unknown | n/a |
1:102:GLU:O | 3:3:CA:CA | unknown | unknown | n/a |
1:95:ASP:OD2 | 3:2:CA:CA | unknown | unknown | n/a |
1:71:ASP:OD1 | 2:2:ZN:ZN | unknown | unknown | n/a |
1:100:GLU:OE2 | 3:3:CA:CA | unknown | unknown | n/a |
Non-standard residues
Chain_ID | Seq_ID | Comp_ID | Chem_comp_name | Experimental evidences |
---|---|---|---|---|
B | 1 | CA | CALCIUM ION | None |
B | 2 | CA | CALCIUM ION | None |
B | 3 | CA | CALCIUM ION | None |
C | 1 | ZN | ZINC ION | None |
C | 2 | ZN | ZINC ION | None |
D | 1 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 2 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 3 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 4 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 5 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 6 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 7 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 8 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 9 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 10 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 11 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 12 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 13 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 14 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 15 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 16 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 17 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 18 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 19 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 20 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 21 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 22 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 23 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 24 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 25 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 26 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 27 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 28 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 29 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 30 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 31 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 32 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 33 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 34 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 35 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 36 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 37 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 38 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 39 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 40 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 41 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 42 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 43 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 44 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 45 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 46 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 47 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 48 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 49 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 50 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 51 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 52 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 53 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 54 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 55 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 56 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 57 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 58 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 59 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 60 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 61 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 62 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 63 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 64 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 65 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 66 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 67 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 68 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 69 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 70 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 71 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 72 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 73 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 74 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 75 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 76 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 77 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 78 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 79 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 80 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 81 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 82 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 83 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 84 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 85 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 86 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 87 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 88 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 89 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 90 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 91 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 92 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 93 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 94 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 95 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 96 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 97 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 98 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 99 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 100 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 101 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 102 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 103 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 104 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 105 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 106 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 107 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 108 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 109 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 110 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 111 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 112 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 113 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 114 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 115 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 116 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 117 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 118 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 119 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 120 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 121 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 122 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 123 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 124 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
D | 125 | PX4 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | None |
Sequence alignments
100-----110-------120-------130-------140-------150-------160-------170-------180-------190-------20 FREMPGGPVWRKHYITYRINNYTPDMNREDVDYAIRKAFQVWSNVTPLKFSKINTGMADILVVFARGAHGDFHAFDGKGGILAHAFGPGSGIGGDAHFDE |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| FREMPGGPVWRKHYITYRINNYTPDMNREDVDYAIRKAFQVWSNVTPLKFSKINTGMADILVVFARGAHGDFHAFDGKGGILAHAFGPGSGIGGDAHFDE --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 0-------210-------220-------230-------240-------250-------260--- DEFWTTHSGGTNLFLTAVHAIGHSLGLGHSSDPKAVMFPTYKYVDINTFRLSADDIRGIQSLYG |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| DEFWTTHSGGTNLFLTAVHAIGHSLGLGHSSDPKAVMFPTYKYVDINTFRLSADDIRGIQSLYG -------110-------120-------130-------140-------150-------160----
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 164 | 0 | 0 | 100.0 |
Content subtype: combined_7089_2mls.nef
Assigned chemical shifts
100-----110-------120-------130-------140-------150-------160-------170-------180-------190-------20 FREMPGGPVWRKHYITYRINNYTPDMNREDVDYAIRKAFQVWSNVTPLKFSKINTGMADILVVFARGAHGDFHAFDGKGGILAHAFGPGSGIGGDAHFDE ||||||||||||||||||||| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .REMPGGPVWRKHYITYRINNY.PDMNREDVDYAIRKAFQVWSNVTPLKFSKINTGMADILVVFARGAHGDFHAFDGKGGILAHAFGPGSGIGGDAHFDE 0-------210-------220-------230-------240-------250-------260--- DEFWTTHSGGTNLFLTAVHAIGHSLGLGHSSDPKAVMFPTYKYVDINTFRLSADDIRGIQSLYG |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| DEFWTTHSGGTNLFLTAVHAIGHSLGLGHSSDPKAVMFPTYKYVDINTFRLSADDIRGIQSLYG
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 961 | 802 | 83.5 |
13C chemical shifts | 746 | 638 | 85.5 |
15N chemical shifts | 177 | 166 | 93.8 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 341 | 332 | 97.4 |
13C chemical shifts | 328 | 289 | 88.1 |
15N chemical shifts | 157 | 154 | 98.1 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 620 | 470 | 75.8 |
13C chemical shifts | 418 | 349 | 83.5 |
15N chemical shifts | 20 | 12 | 60.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 85 | 78 | 91.8 |
13C chemical shifts | 85 | 72 | 84.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 124 | 79 | 63.7 |
13C chemical shifts | 121 | 76 | 62.8 |
15N chemical shifts | 3 | 3 | 100.0 |
Covalent bonds
Dihedral angle restraints
100-----110-------120-------130-------140-------150-------160-------170-------180-------190-------20 FREMPGGPVWRKHYITYRINNYTPDMNREDVDYAIRKAFQVWSNVTPLKFSKINTGMADILVVFARGAHGDFHAFDGKGGILAHAFGPGSGIGGDAHFDE ||| |||||||||||||||||||||||||||||||||||||||||||| |||||||||||||| |||||| ||| |||||||||| ..EMP.....RKHYITYRINNYTPDMNREDVDYAIRKAFQVWSNVTPLKFSKIN.GMADILVVFARGAH.......GKGGIL.HAF....GIGGDAHFDE 0-------210-------220-------230-------240-------250-------260--- DEFWTTHSGGTNLFLTAVHAIGHSLGLGHSSDPKAVMFPTYKYVDINTFRLSADDIRGIQSLYG ||||||||||||||||||||||||||||||| |||||||||||||||||||||||||||||||| DEFWTTHSGGTNLFLTAVHAIGHSLGLGHSS.PKAVMFPTYKYVDINTFRLSADDIRGIQSLYG