Phosphotyrosine binding domain
ID | Type | Value order | Atom ID 1 | Atom ID 2 |
---|---|---|---|---|
1 | metal coordination | sing | 1:CYS4:SG | 2:ZN1:ZN |
2 | metal coordination | sing | 1:CYS7:SG | 2:ZN1:ZN |
3 | metal coordination | sing | 1:CYS25:SG | 2:ZN1:ZN |
4 | metal coordination | sing | 1:CYS28:SG | 2:ZN1:ZN |
5 | metal coordination | sing | 1:CYS20:SG | 2:ZN1:ZN |
6 | metal coordination | sing | 1:HIS22:SG | 2:ZN1:ZN |
7 | metal coordination | sing | 1:CYS40:SG | 2:ZN1:ZN |
8 | metal coordination | sing | 1:CYS43:SG | 2:ZN1:ZN |
9 | metal coordination | sing | 1:CYS61:SG | 2:ZN1:ZN |
10 | metal coordination | sing | 1:CYS67:SG | 2:ZN1:ZN |
11 | metal coordination | sing | 1:HIS80:SG | 2:ZN1:ZN |
12 | metal coordination | sing | 1:HIS85:SG | 2:ZN1:ZN |
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 62.5 % (652 of 1043) | 84.5 % (465 of 550) | 24.6 % (99 of 402) | 96.7 % (88 of 91) |
Backbone | 58.4 % (307 of 526) | 98.9 % (179 of 181) | 17.7 % (46 of 260) | 96.5 % (82 of 85) |
Sidechain | 60.8 % (364 of 599) | 77.5 % (286 of 369) | 32.1 % (72 of 224) | 100.0 % (6 of 6) |
Aromatic | 33.3 % (26 of 78) | 46.2 % (18 of 39) | 20.5 % (8 of 39) | |
Methyl | 100.0 % (74 of 74) | 100.0 % (37 of 37) | 100.0 % (37 of 37) |
1. entity 1
VHFCDKCGLP IKVYGRMIPC KHVFCYDCAI LHEKKGDKMC PGCSDPVQRI EQCTRGSLFM CSIVQGCKRT YLSQRDLQAH INHRHMRAGSolvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-100% 13C; U-100% 15N; U-80% 2H] | 1 mM | |
2 | DTT | natural abundance | 5 mM | |
3 | D2O | natural abundance | 5 % | |
4 | H2O | natural abundance | 95 % | |
5 | potassium phosphate | natural abundance | 50 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-100% 13C; U-100% 15N; U-80% 2H] | 1 mM | |
2 | DTT | natural abundance | 5 mM | |
3 | D2O | natural abundance | 5 % | |
4 | H2O | natural abundance | 95 % | |
5 | potassium phosphate | natural abundance | 50 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-100% 13C; U-100% 15N; U-80% 2H] | 1 mM | |
2 | DTT | natural abundance | 5 mM | |
3 | D2O | natural abundance | 5 % | |
4 | H2O | natural abundance | 95 % | |
5 | potassium phosphate | natural abundance | 50 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-100% 13C; U-100% 15N; U-80% 2H] | 1 mM | |
2 | DTT | natural abundance | 5 mM | |
3 | D2O | natural abundance | 5 % | |
4 | H2O | natural abundance | 95 % | |
5 | potassium phosphate | natural abundance | 50 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-100% 13C; U-100% 15N; U-80% 2H] | 1 mM | |
2 | DTT | natural abundance | 5 mM | |
3 | D2O | natural abundance | 5 % | |
4 | H2O | natural abundance | 95 % | |
5 | potassium phosphate | natural abundance | 50 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-100% 13C; U-100% 15N; U-80% 2H] | 1 mM | |
2 | DTT | natural abundance | 5 mM | |
3 | D2O | natural abundance | 5 % | |
4 | H2O | natural abundance | 95 % | |
5 | potassium phosphate | natural abundance | 50 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-100% 13C; U-100% 15N; U-80% 2H] | 1 mM | |
2 | DTT | natural abundance | 5 mM | |
3 | D2O | natural abundance | 5 % | |
4 | H2O | natural abundance | 95 % | |
5 | potassium phosphate | natural abundance | 50 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-100% 13C; U-100% 15N; U-80% 2H] | 1 mM | |
2 | DTT | natural abundance | 5 mM | |
3 | D2O | natural abundance | 5 % | |
4 | H2O | natural abundance | 95 % | |
5 | potassium phosphate | natural abundance | 50 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-100% 13C; U-100% 15N; U-80% 2H] | 1 mM | |
2 | DTT | natural abundance | 5 mM | |
3 | D2O | natural abundance | 5 % | |
4 | H2O | natural abundance | 95 % | |
5 | potassium phosphate | natural abundance | 50 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-100% 13C; U-100% 15N; U-80% 2H] | 1 mM | |
2 | DTT | natural abundance | 5 mM | |
3 | D2O | natural abundance | 5 % | |
4 | H2O | natural abundance | 95 % | |
5 | potassium phosphate | natural abundance | 50 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-100% 13C; U-100% 15N; U-80% 2H] | 1 mM | |
2 | DTT | natural abundance | 5 mM | |
3 | D2O | natural abundance | 5 % | |
4 | H2O | natural abundance | 95 % | |
5 | potassium phosphate | natural abundance | 50 mM |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_25008_2mq1.nef |
Input source #2: Coordindates | 2mq1.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 (Å) |
---|---|---|---|---|
1:80:HIS:NE2 | 2:3:ZN:ZN | unknown | unknown | n/a |
1:85:HIS:NE2 | 2:3:ZN:ZN | unknown | unknown | n/a |
1:22:HIS:ND1 | 2:2:ZN:ZN | unknown | unknown | n/a |
1:25:CYS:SG | 2:1:ZN:ZN | unknown | unknown | n/a |
1:43:CYS:SG | 2:2:ZN:ZN | unknown | unknown | n/a |
1:7:CYS:SG | 2:1:ZN:ZN | unknown | unknown | n/a |
1:61:CYS:SG | 2:3:ZN:ZN | unknown | unknown | n/a |
1:67:CYS:SG | 2:3:ZN:ZN | unknown | unknown | n/a |
1:20:CYS:SG | 2:2:ZN:ZN | unknown | unknown | n/a |
1:28:CYS:SG | 2:1:ZN:ZN | unknown | unknown | n/a |
1:40:CYS:SG | 2:2:ZN:ZN | unknown | unknown | n/a |
1:4:CYS:SG | 2:1:ZN:ZN | unknown | unknown | n/a |
Non-standard residues
Chain_ID | Seq_ID | Comp_ID | Chem_comp_name | Experimental evidences |
---|---|---|---|---|
B | 1 | ZN | ZINC ION | None |
B | 2 | ZN | ZINC ION | None |
B | 3 | ZN | ZINC ION | None |
Sequence alignments
--------10--------20--------30--------40--------50--------60--------70--------80--------- VHFCDKCGLPIKVYGRMIPCKHVFCYDCAILHEKKGDKMCPGCSDPVQRIEQCTRGSLFMCSIVQGCKRTYLSQRDLQAHINHRHMRAG ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| VHFCDKCGLPIKVYGRMIPCKHVFCYDCAILHEKKGDKMCPGCSDPVQRIEQCTRGSLFMCSIVQGCKRTYLSQRDLQAHINHRHMRAG
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 89 | 0 | 0 | 100.0 |
Content subtype: combined_25008_2mq1.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------- VHFCDKCGLPIKVYGRMIPCKHVFCYDCAILHEKKGDKMCPGCSDPVQRIEQCTRGSLFMCSIVQGCKRTYLSQRDLQAHINHRHMRAG ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| VHFCDKCGLPIKVYGRMIPCKHVFCYDCAILHEKKGDKMCPGCSDPVQRIEQCTRGSLFMCSIVQGCKRTYLSQRDLQAHINHRHMRAG
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 550 | 457 | 83.1 |
13C chemical shifts | 402 | 63 | 15.7 |
15N chemical shifts | 98 | 89 | 90.8 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 181 | 176 | 97.2 |
13C chemical shifts | 178 | 7 | 3.9 |
15N chemical shifts | 85 | 82 | 96.5 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 369 | 281 | 76.2 |
13C chemical shifts | 224 | 56 | 25.0 |
15N chemical shifts | 13 | 7 | 53.8 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 41 | 41 | 100.0 |
13C chemical shifts | 41 | 41 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 39 | 17 | 43.6 |
13C chemical shifts | 39 | 6 | 15.4 |
Covalent bonds
Distance restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------- VHFCDKCGLPIKVYGRMIPCKHVFCYDCAILHEKKGDKMCPGCSDPVQRIEQCTRGSLFMCSIVQGCKRTYLSQRDLQAHINHRHMRAG |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| VHFCDKCGLPIKVYGRMIPCKHVFCYDCAILHEKKGDKMCPGCSDPVQRIEQCTRGSLFMCSIVQGCKRTYLSQRDLQAHINHRHMRA --------10--------20--------30--------40--------50--------60--------70--------80--------
Dihedral angle restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------- VHFCDKCGLPIKVYGRMIPCKHVFCYDCAILHEKKGDKMCPGCSDPVQRIEQCTRGSLFMCSIVQGCKRTYLSQRDLQAHINHRHMRAG |||| |||||| ||||||||||| ||||| |||||| ||||||||||||| .HFCD.......VYGRMI......CYDCAILHEKK..............IEQCT..SLFMCS..........SQRDLQAHINHRH --------10--------20--------30--------40--------50--------60--------70--------80-----