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Found 1 Document (1.698 seconds)

BMRB: 7089

2MLS

1H, 13C, and 15N Peak Assignments of Human Macrophage Metalloelastase, in its inhibitor-free state

Authors

Bhaskaran, R., VanDoren, S.R.

Assembly

Metalloelastase monomer

Entity

1. MMP-12 (polymer, Thiol state: not present), 164 monomers, 18153.15 Da Detail

FREMPGGPVW RKHYITYRIN NYTPDMNRED VDYAIRKAFQ VWSNVTPLKF SKINTGMADI LVVFARGAHG DFHAFDGKGG ILAHAFGPGS GIGGDAHFDE DEFWTTHSGG TNLFLTAVHA IGHSLGLGHS SDPKAVMFPT YKYVDINTFR LSADDIRGIQ SLYG

2. ZN (non-polymer), 65.409 × 2 Da
3. CA (non-polymer), 40.078 × 3 Da

Total weight

18404.203 Da

Max. entity weight

18153.15 Da

Source organism

Homo sapiens

Exptl. method

NMR

Refine. method

molecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 98.8 %, Completeness: 87.0 %, Completeness (bb): 94.7 % Detail

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 SLYG

Show sample condition

Sample #1

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

Sample #2

Temperature 299 (±1) K, pH 6.6 (±0.05)

#	Name	Isotope labeling	Type	Concentration
2	MMP-12	[U-15N]	protein	0.45 mM

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: -0.32 ppm, Outliers: 3 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: -0.32 ppm, Outliers: 3 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: 0.05 ppm, Outliers: 2 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: -0.09 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 14 models in PDB: 2MLS, Strand ID: A Detail

Release date

2007-05-01

Citation

1H, 13C, and 15N peak assignments and secondary structure of human macrophage metalloelastase (MMP-12) in its inhibitor-free state
Bhaskaran, R., VanDoren, S.R.
J. Biomol. NMR (2006), 36 Suppl 1, 55-55, PubMed 16855860 , DOI 10.1007/s10858-006-9035-8 , Abstract

Related entities 1. MMP-12, : 1 : 2 : 84 : 192 entities Detail

Interaction partners 1. MMP-12, : 1 interactors Detail

More details for 1 interactors identified by 1 citations

Experiments performed 16 experiments Detail

1 1H15N HSQC

Instrument

#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

Sample #1

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

Sample #2

Temperature 299 (±1) K, pH 6.6 (±0.05)

#	Name	Isotope labeling	Type	Concentration
2	MMP-12	[U-15N]	protein	0.45 mM

2 1H13C HSQC

Instrument

#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

Sample #1

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

Sample #2

Temperature 299 (±1) K, pH 6.6 (±0.05)

#	Name	Isotope labeling	Type	Concentration
2	MMP-12	[U-15N]	protein	0.45 mM

3 HNCO

Instrument

#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

Sample #1

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

Sample #2

Temperature 299 (±1) K, pH 6.6 (±0.05)

#	Name	Isotope labeling	Type	Concentration
2	MMP-12	[U-15N]	protein	0.45 mM

4 HNCA

Instrument

#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

Sample #1

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

Sample #2

Temperature 299 (±1) K, pH 6.6 (±0.05)

#	Name	Isotope labeling	Type	Concentration
2	MMP-12	[U-15N]	protein	0.45 mM

5 CBCACONH

Instrument

#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

Sample #1

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

Sample #2

Temperature 299 (±1) K, pH 6.6 (±0.05)

#	Name	Isotope labeling	Type	Concentration
2	MMP-12	[U-15N]	protein	0.45 mM

6 HNCACB

Instrument

#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

Sample #1

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

Sample #2

Temperature 299 (±1) K, pH 6.6 (±0.05)

#	Name	Isotope labeling	Type	Concentration
2	MMP-12	[U-15N]	protein	0.45 mM

7 HACACONH

Instrument

#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

Sample #1

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

Sample #2

Temperature 299 (±1) K, pH 6.6 (±0.05)

#	Name	Isotope labeling	Type	Concentration
2	MMP-12	[U-15N]	protein	0.45 mM

8 HNNCAHA

Instrument

#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

Sample #1

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

Sample #2

Temperature 299 (±1) K, pH 6.6 (±0.05)

#	Name	Isotope labeling	Type	Concentration
2	MMP-12	[U-15N]	protein	0.45 mM

9 CCONH

Instrument

#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

Sample #1

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

Sample #2

Temperature 299 (±1) K, pH 6.6 (±0.05)

#	Name	Isotope labeling	Type	Concentration
2	MMP-12	[U-15N]	protein	0.45 mM

10 HCCONH

Instrument

#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

Sample #1

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

Sample #2

Temperature 299 (±1) K, pH 6.6 (±0.05)

#	Name	Isotope labeling	Type	Concentration
2	MMP-12	[U-15N]	protein	0.45 mM

11 HCACOCANH

Instrument

#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

Sample #1

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

Sample #2

Temperature 299 (±1) K, pH 6.6 (±0.05)

#	Name	Isotope labeling	Type	Concentration
2	MMP-12	[U-15N]	protein	0.45 mM

12 HCCHTOCSY

Instrument

#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

Sample #1

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

Sample #2

Temperature 299 (±1) K, pH 6.6 (±0.05)

#	Name	Isotope labeling	Type	Concentration
2	MMP-12	[U-15N]	protein	0.45 mM

13 CCHTOCSY

Instrument

#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

Sample #1

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

Sample #2

Temperature 299 (±1) K, pH 6.6 (±0.05)

#	Name	Isotope labeling	Type	Concentration
2	MMP-12	[U-15N]	protein	0.45 mM

14 HBCBCGCDHD(CEHE)

Instrument

#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

Sample #1

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

Sample #2

Temperature 299 (±1) K, pH 6.6 (±0.05)

#	Name	Isotope labeling	Type	Concentration
2	MMP-12	[U-15N]	protein	0.45 mM

15 15N ed 3D NOESY HSQC

Instrument

#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

Sample #1

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

Sample #2

Temperature 299 (±1) K, pH 6.6 (±0.05)

#	Name	Isotope labeling	Type	Concentration
2	MMP-12	[U-15N]	protein	0.45 mM

16 13C ed 3D NOESY HSQC

Instrument

#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

Sample #1

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

Sample #2

Temperature 299 (±1) K, pH 6.6 (±0.05)

#	Name	Isotope labeling	Type	Concentration
2	MMP-12	[U-15N]	protein	0.45 mM

NMR combined restraints 3 contents Detail

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

None

Other 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

Entity_assembly_ID (NMR): A vs Auth_asym_ID (model): A

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

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Covalent bonds	assembly	OK	23		No information
1	Assigned chemical shifts	chem_shift_list_1	Warning	1606		98.8 (chain: A, length: 164)
1	Dihedral angle restraints	DYANA/DIANA_dihedral_4	OK	219 (219)	.	87.2 (chain: A, length: 164)

Assigned chemical shifts

Saveframe: chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 164, Sequence coverage: 98.8%
- Total number of assignments
  - ¹H chemical shifts: 802
  - ¹³C chemical shifts: 638
  - ¹⁵N chemical shifts: 166
- Completeness of assignments
  - Entity_assemble_ID: A
- Peptide bond of PRO
- Tautomeric state of HIS
- Rotameric state of ILE , LEU, and VAL
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: A

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

Saveframe: assembly
- Status: OK

Dihedral angle restraints

Saveframe: DYANA/DIANA_dihedral_4
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 164, Sequence coverage: 87.2%
- Total number of restraints: 219
- Total number of restraints per polymer type: 219
- Weight of restraints: 1.0 (219)
- Potential type of restraints: square-well-parabolic (219)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

Keywords Chemical Shifts, Inhibitor-free State, Matrix Metalloealstase, Resonance Assignments, Secondary Structure, MMP-12, Chemical Shift Assignment, NMR

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Found 1 Document (1.698 seconds)

BMRB: 7089

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Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. MMP-12, : 1 : 2 : 84 : 192 entities Detail

Interaction partners 1. MMP-12, : 1 interactors Detail

Experiments performed 16 experiments Detail

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