Structure of protein complex
ATGPTADPEK RKLIQQQLVL LLHAHKCQRR EQANGEVRAC SLPHCRTMKN VLNHMTHCQA GKACQVAHCA SSRQIISHWK NCTRHDCPVC LPLKNASDKR
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 87.3 % (1574 of 1803) | 93.8 % (891 of 950) | 77.5 % (534 of 689) | 90.9 % (149 of 164) |
Backbone | 81.5 % (748 of 918) | 95.1 % (293 of 308) | 69.2 % (322 of 465) | 91.7 % (133 of 145) |
Sidechain | 94.4 % (978 of 1036) | 93.3 % (599 of 642) | 96.8 % (363 of 375) | 84.2 % (16 of 19) |
Aromatic | 91.9 % (68 of 74) | 97.3 % (36 of 37) | 86.1 % (31 of 36) | 100.0 % (1 of 1) |
Methyl | 100.0 % (156 of 156) | 100.0 % (78 of 78) | 100.0 % (78 of 78) |
1. TAZ1
ATGPTADPEK RKLIQQQLVL LLHAHKCQRR EQANGEVRAC SLPHCRTMKN VLNHMTHCQA GKACQVAHCA SSRQIISHWK NCTRHDCPVC LPLKNASDKR2. STAT2
GSHMVPEPDL PHDLRHLNTE PMEIFRNSVK IEEIMPNGDP LLAGQNTVDE VYVSRPSSolvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 305 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TAZ1 | [U-100% 15N] | 1 mM | |
2 | STAT2 | natural abundance | ||
3 | ZINC_ION | natural abundance | ||
4 | H2O | natural abundance | 93 % | |
5 | D2O | natural abundance | 7 % |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | na | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | external | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | na | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | na | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | external | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | na | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | na | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | external | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | na | indirect | 0.1013291 |
Bruker DRX - 600 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 305 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TAZ1 | [U-100% 15N] | 1 mM | |
2 | STAT2 | natural abundance | ||
3 | ZINC_ION | natural abundance | ||
4 | H2O | natural abundance | 93 % | |
5 | D2O | natural abundance | 7 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_16014_2ka4.nef |
Input source #2: Coordindates | 2ka4.cif |
Diamagnetism of the molecular assembly | True (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 (Ã…) |
---|---|---|---|---|
1:23:HIS:NE2 | 3:1:ZN:ZN | unknown | unknown | n/a |
1:27:CYS:SG | 3:1:ZN:ZN | unknown | unknown | n/a |
1:40:CYS:SG | 3:1:ZN:ZN | unknown | unknown | n/a |
1:45:CYS:SG | 3:1:ZN:ZN | unknown | unknown | n/a |
1:54:HIS:NE2 | 3:2:ZN:ZN | unknown | unknown | n/a |
1:58:CYS:SG | 3:2:ZN:ZN | unknown | unknown | n/a |
1:64:CYS:SG | 3:2:ZN:ZN | unknown | unknown | n/a |
1:69:CYS:SG | 3:2:ZN:ZN | unknown | unknown | n/a |
1:78:HIS:NE2 | 3:3:ZN:ZN | unknown | unknown | n/a |
1:82:CYS:SG | 3:3:ZN:ZN | unknown | unknown | n/a |
1:87:CYS:SG | 3:3:ZN:ZN | unknown | unknown | n/a |
1:90:CYS:SG | 3:3:ZN:ZN | unknown | unknown | n/a |
Non-standard residues
Chain_ID | Seq_ID | Comp_ID | Chem_comp_name | Experimental evidences |
---|---|---|---|---|
C | 1 | ZN | ZINC ION | None |
C | 2 | ZN | ZINC ION | None |
C | 3 | ZN | ZINC ION | None |
Sequence alignments
340-----350-------360-------370-------380-------390-------400-------410-------420-------430--------- ATGPTADPEKRKLIQQQLVLLLHAHKCQRREQANGEVRACSLPHCRTMKNVLNHMTHCQAGKACQVAHCASSRQIISHWKNCTRHDCPVCLPLKNASDKR |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ATGPTADPEKRKLIQQQLVLLLHAHKCQRREQANGEVRACSLPHCRTMKNVLNHMTHCQAGKACQVAHCASSRQIISHWKNCTRHDCPVCLPLKNASDKR --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100
------790-------800-------810-------820-------830-------- GSHMVPEPDLPHDLRHLNTEPMEIFRNSVKIEEIMPNGDPLLAGQNTVDEVYVSRPS ||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GSHMVPEPDLPHDLRHLNTEPMEIFRNSVKIEEIMPNGDPLLAGQNTVDEVYVSRPS --------10--------20--------30--------40--------50-------
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 100 | 0 | 0 | 100.0 |
B | B | 57 | 0 | 0 | 100.0 |
Content subtype: combined_16014_2ka4.nef
Assigned chemical shifts
340-----350-------360-------370-------380-------390-------400-------410-------420-------430--------- ATGPTADPEKRKLIQQQLVLLLHAHKCQRREQANGEVRACSLPHCRTMKNVLNHMTHCQAGKACQVAHCASSRQIISHWKNCTRHDCPVCLPLKNASDKR |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ATGPTADPEKRKLIQQQLVLLLHAHKCQRREQANGEVRACSLPHCRTMKNVLNHMTHCQAGKACQVAHCASSRQIISHWKNCTRHDCPVCLPLKNASDKR
------790-------800-------810-------820-------830-------- GSHMVPEPDLPHDLRHLNTEPMEIFRNSVKIEEIMPNGDPLLAGQNTVDEVYVSRPS ||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GSHMVPEPDLPHDLRHLNTEPMEIFRNSVKIEEIMPNGDPLLAGQNTVDEVYVSRPS
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
411 | SER | HG | 5.478 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 607 | 564 | 92.9 |
13C chemical shifts | 434 | 323 | 74.4 |
15N chemical shifts | 117 | 98 | 83.8 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 198 | 190 | 96.0 |
13C chemical shifts | 200 | 99 | 49.5 |
15N chemical shifts | 95 | 87 | 91.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 409 | 374 | 91.4 |
13C chemical shifts | 234 | 224 | 95.7 |
15N chemical shifts | 22 | 11 | 50.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 51 | 51 | 100.0 |
13C chemical shifts | 51 | 51 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 22 | 22 | 100.0 |
13C chemical shifts | 21 | 21 | 100.0 |
15N chemical shifts | 1 | 1 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 343 | 328 | 95.6 |
13C chemical shifts | 255 | 192 | 75.3 |
15N chemical shifts | 58 | 47 | 81.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 110 | 103 | 93.6 |
13C chemical shifts | 114 | 57 | 50.0 |
15N chemical shifts | 50 | 43 | 86.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 233 | 225 | 96.6 |
13C chemical shifts | 141 | 135 | 95.7 |
15N chemical shifts | 8 | 4 | 50.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 32 | 32 | 100.0 |
13C chemical shifts | 32 | 32 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 15 | 14 | 93.3 |
13C chemical shifts | 15 | 10 | 66.7 |
Covalent bonds
Distance restraints
340-----350-------360-------370-------380-------390-------400-------410-------420-------430--------- ATGPTADPEKRKLIQQQLVLLLHAHKCQRREQANGEVRACSLPHCRTMKNVLNHMTHCQAGKACQVAHCASSRQIISHWKNCTRHDCPVCLPLKNASDKR |||||||||||||||||||||||||||||||||||||| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ..GPTADPEKRKLIQQQLVLLLHAHKCQRREQANGEVRAC.LPHCRTMKNVLNHMTHCQAGKACQVAHCASSRQIISHWKNCTRHDCPVCLPLKNASDKR
------790-------800-------810-------820-------830-------- GSHMVPEPDLPHDLRHLNTEPMEIFRNSVKIEEIMPNGDPLLAGQNTVDEVYVSRPS ||||||||||||||||||||||| |||||||| |||||||||||||||||||| ...MVPEPDLPHDLRHLNTEPMEIFR.SVKIEEIM.NGDPLLAGQNTVDEVYVSRP ------790-------800-------810-------820-------830-------
Dihedral angle restraints
340-----350-------360-------370-------380-------390-------400-------410-------420-------430--------- ATGPTADPEKRKLIQQQLVLLLHAHKCQRREQANGEVRACSLPHCRTMKNVLNHMTHCQAGKACQVAHCASSRQIISHWKNCTRHDCPVCLPLKNASDKR || |||||||||||||||||||||||||||| |||||||||||||||| |||||||||||||||||| | |||||||| AT....DPEKRKLIQQQLVLLLHAHKCQRREQAN.........HCRTMKNVLNHMTHCQ......VAHCASSRQIISHWKNCT..D..VCLPLKNA 340-----350-------360-------370-------380-------390-------400-------410-------420-------430-----