Structure of protein complex
SPQESRRLSI QRCIQSLVHA CQCRNANCSL PSCQKMKRVV QHTKGCKRKT NGGCPVCKQL IALCCYHAKH CQENKCPVPF CLNIKHKLRQ QQ
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 87.7 % (1400 of 1597) | 95.6 % (810 of 847) | 74.4 % (448 of 602) | 95.9 % (142 of 148) |
Backbone | 82.3 % (663 of 806) | 97.4 % (264 of 271) | 68.0 % (276 of 406) | 95.3 % (123 of 129) |
Sidechain | 93.9 % (867 of 923) | 94.8 % (546 of 576) | 92.1 % (302 of 328) | 100.0 % (19 of 19) |
Aromatic | 57.6 % (38 of 66) | 69.7 % (23 of 33) | 45.5 % (15 of 33) | |
Methyl | 100.0 % (118 of 118) | 100.0 % (59 of 59) | 100.0 % (59 of 59) |
1. TAZ2
SPQESRRLSI QRCIQSLVHA CQCRNANCSL PSCQKMKRVV QHTKGCKRKT NGGCPVCKQL IALCCYHAKH CQENKCPVPF CLNIKHKLRQ QQ2. STAT1
GSHMSEVHPS RLQTTDNLLP MSPEEFDEVS RIVGSVEFDS MMNTVSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 290 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TAZ2 | [U-100% 15N] | 1 mM | |
2 | STAT1 | natural abundance | ||
3 | ZINC_ION | natural abundance | ||
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
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 | 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 | na | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | external | 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 | na | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | external | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | null | indirect | 0.1013291 |
Bruker DRX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 290 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TAZ2 | [U-100% 15N] | 1 mM | |
2 | STAT1 | natural abundance | ||
3 | ZINC_ION | natural abundance | ||
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_16015_2ka6.nef |
Input source #2: Coordindates | 2ka6.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…) |
---|---|---|---|---|
1:19:HIS:NE2 | 3:1:ZN:ZN | unknown | unknown | n/a |
1:23:CYS:SG | 3:1:ZN:ZN | unknown | unknown | n/a |
1:28:CYS:SG | 3:1:ZN:ZN | unknown | unknown | n/a |
1:33:CYS:SG | 3:1:ZN:ZN | unknown | unknown | n/a |
1:42:HIS:NE2 | 3:2:ZN:ZN | unknown | unknown | n/a |
1:46:CYS:SG | 3:2:ZN:ZN | unknown | unknown | n/a |
1:54:CYS:SG | 3:2:ZN:ZN | unknown | unknown | n/a |
1:57:CYS:SG | 3:2:ZN:ZN | unknown | unknown | n/a |
1:67:HIS:NE2 | 3:3:ZN:ZN | unknown | unknown | n/a |
1:71:CYS:SG | 3:3:ZN:ZN | unknown | unknown | n/a |
1:76:CYS:SG | 3:3:ZN:ZN | unknown | unknown | n/a |
1:81: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
--------10--------20--------30--------40--------50--------60--------70--------80--------90-- SPQESRRLSIQRCIQSLVHACQCRNANCSLPSCQKMKRVVQHTKGCKRKTNGGCPVCKQLIALCCYHAKHCQENKCPVPFCLNIKHKLRQQQ |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| SPQESRRLSIQRCIQSLVHACQCRNANCSLPSCQKMKRVVQHTKGCKRKTNGGCPVCKQLIALCCYHAKHCQENKCPVPFCLNIKHKLRQQQ
--710-------720-------730-------740-------750 GSHMSEVHPSRLQTTDNLLPMSPEEFDEVSRIVGSVEFDSMMNTV ||||||||||||||||||||||||||||||||||||||||||||| GSHMSEVHPSRLQTTDNLLPMSPEEFDEVSRIVGSVEFDSMMNTV --------10--------20--------30--------40-----
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 92 | 0 | 0 | 100.0 |
B | B | 45 | 0 | 0 | 100.0 |
Content subtype: combined_16015_2ka6.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90-- SPQESRRLSIQRCIQSLVHACQCRNANCSLPSCQKMKRVVQHTKGCKRKTNGGCPVCKQLIALCCYHAKHCQENKCPVPFCLNIKHKLRQQQ |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| SPQESRRLSIQRCIQSLVHACQCRNANCSLPSCQKMKRVVQHTKGCKRKTNGGCPVCKQLIALCCYHAKHCQENKCPVPFCLNIKHKLRQQQ
--710-------720-------730-------740-------750 GSHMSEVHPSRLQTTDNLLPMSPEEFDEVSRIVGSVEFDSMMNTV ||||||||||||||||||||||||||||||||||||||||||||| GSHMSEVHPSRLQTTDNLLPMSPEEFDEVSRIVGSVEFDSMMNTV
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
43 | THR | HG1 | 5.312 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 589 | 562 | 95.4 |
13C chemical shifts | 406 | 296 | 72.9 |
15N chemical shifts | 110 | 100 | 90.9 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 182 | 180 | 98.9 |
13C chemical shifts | 184 | 91 | 49.5 |
15N chemical shifts | 87 | 84 | 96.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 407 | 382 | 93.9 |
13C chemical shifts | 222 | 205 | 92.3 |
15N chemical shifts | 23 | 16 | 69.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 39 | 39 | 100.0 |
13C chemical shifts | 39 | 39 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 19 | 14 | 73.7 |
13C chemical shifts | 19 | 10 | 52.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 258 | 242 | 93.8 |
13C chemical shifts | 196 | 138 | 70.4 |
15N chemical shifts | 47 | 42 | 89.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 89 | 83 | 93.3 |
13C chemical shifts | 90 | 43 | 47.8 |
15N chemical shifts | 42 | 38 | 90.5 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 169 | 159 | 94.1 |
13C chemical shifts | 106 | 95 | 89.6 |
15N chemical shifts | 5 | 4 | 80.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 25 | 25 | 100.0 |
13C chemical shifts | 25 | 25 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 14 | 9 | 64.3 |
13C chemical shifts | 14 | 5 | 35.7 |
Covalent bonds
Distance restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-- SPQESRRLSIQRCIQSLVHACQCRNANCSLPSCQKMKRVVQHTKGCKRKTNGGCPVCKQLIALCCYHAKHCQENKCPVPFCLNIKHKLRQQQ |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| SPQESRRLSIQRCIQSLVHACQCRNANCSLPSCQKMKRVVQHTKGCKRKTNGGCPVCKQLIALCCYHAKHCQENKCPVPFCLNIKHKLRQQQ
--710-------720-------730-------740-------750 GSHMSEVHPSRLQTTDNLLPMSPEEFDEVSRIVGSVEFDSMMNTV ||||||||||||||||||||||||||||||||||||||||| ....SEVHPSRLQTTDNLLPMSPEEFDEVSRIVGSVEFDSMMNTV
Dihedral angle restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-- SPQESRRLSIQRCIQSLVHACQCRNANCSLPSCQKMKRVVQHTKGCKRKTNGGCPVCKQLIALCCYHAKHCQENKCPVPFCLNIKHKLRQQQ ||||||||||||||||||||||||||||||||||||||||||||||| | ||||||||||||||||||| || |||||||||||| SPQESRRLSIQRCIQSLVHACQCRNANCSLPSCQKMKRVVQHTKGCK.K....CPVCKQLIALCCYHAKHCQ..KC.VPFCLNIKHKLR --------10--------20--------30--------40--------50--------60--------70--------80---------