Structure of PDB 4j9v Chain B Binding Site BS02

Receptor Information
>4j9v Chain B (length=454) Species: 223926 (Vibrio parahaemolyticus RIMD 2210633) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKIIILGAGQVGGTLAENLVGENNDITIVDNNADRLRELQDKYDLRVVNG
HASHPDVLHEAGAQDADMLVAVTNTDETNMAACQVAFTLFNTPNRVARIR
SPEYLAEKEALFKSGAIPVDHLIAPEELVTSYIERLIQYPGALQVVSFAE
QKVSLVAVKAYYGGPLVGNALSALREHMPHIDTRVAAIFRQGRPIRPQGT
TIIEADDEVFFVAASNHIRSVMSELQRLEKPYRRIMIVGGGNIGASLAKR
LEQTYSVKLIERDYQRAEKLSEQLENTIVFCGDAADQELLTEENIDQVDV
FIALTNEDETNIMSAMLAKRMGAKKVMVLIQRGAYVDLVQGGVIDVAISP
QQATISALLTHVRRADIVNVSSLRRGAAEAIEAVAHGDETTSKVVGRAIG
DIKLPPGTTIGAVVRGEEVLIAHDRTVIEQDDHVVMFLVDKKYVPDVEAL
FQPS
Ligand information
Ligand IDAGS
InChIInChI=1S/C10H16N5O12P3S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(25-10)1-24-28(18,19)26-29(20,21)27-30(22,23)31/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H,20,21)(H2,11,12,13)(H2,22,23,31)/t4-,6-,7-,10-/m1/s1
InChIKeyNLTUCYMLOPLUHL-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N
CACTVS 3.370Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=S)[C@@H](O)[C@H]3O
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=S)[CH](O)[CH]3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N
ACDLabs 12.01O=P(O)(OP(=S)(O)O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
FormulaC10 H16 N5 O12 P3 S
NamePHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER;
ATP-GAMMA-S;
ADENOSINE 5'-(3-THIOTRIPHOSPHATE);
ADENOSINE 5'-(GAMMA-THIOTRIPHOSPHATE);
ADENOSINE-5'-DIPHOSPHATE MONOTHIOPHOSPHATE
ChEMBLCHEMBL131890
DrugBankDB02930
ZINCZINC000008295128
PDB chain4j9v Chain B Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4j9v Gating of the TrkH ion channel by its associated RCK protein TrkA.
Resolution3.051 Å
Binding residue
(original residue number in PDB)		G7 G9 Q10 D30 N31 R35 H51 A52 N74 R98 R100
Binding residue
(residue number reindexed from 1)		G7 G9 Q10 D30 N31 R35 H51 A52 N74 R98 R100
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0008324 monoatomic cation transmembrane transporter activity
GO:0015079 potassium ion transmembrane transporter activity
GO:0046872 metal ion binding
Biological Process
GO:0006813 potassium ion transport
GO:0071805 potassium ion transmembrane transport
Cellular Component
GO:0005886 plasma membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4j9v, PDBe:4j9v, PDBj:4j9v
PDBsum4j9v
PubMed23598339
UniProtQ87KD2

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