Structure of PDB 6v4l Chain C Binding Site BS02

Receptor Information
>6v4l Chain C (length=449) Species: 223926 (Vibrio parahaemolyticus RIMD 2210633) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IILGAGQVGGTLAENLVGENNDITIVDNNADRLRELQDKLRVVNGHASHP
DVLHEAGAQDADMLVAVTNTDEMAACQVAFTLFNTPNRVARIRSPEYLAE
KEALFKSGAIPVDHLIAPEELVTSYIERLIQYPGALQVVSFAEQKVSLVA
VKAYYGGPLVGNALSALREHMPHIDTRVAAIFRQGRPIRPQGTTIIEADD
EVFFVAASNHIRSVMSELQRLEKPYRRIMIVGGGNIGASLAKRLEQTYSV
KLIERDYQRAEKLSEQLENTIVFCGDAADQELLTEENIDQVDVFIALTNE
DETNIMSAMLAKRMGAKKVMVLIQRGAYVDLVQGGVIDVAISPQQATISA
LLTHVRRADIVNVSSLRRGAAEAIEAVAHGDETTSKVVGRAIGDIKLPPG
TTIGAVVRGEEVLIAHDRTVIEQDDHVVMFLVDKKYVPDVEALFQPSPF
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 chain6v4l Chain C 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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PDB6v4l TrkA undergoes a tetramer-to-dimer conversion to open TrkH which enables changes in membrane potential.
Resolution3.8 Å
Binding residue
(original residue number in PDB)		V238 G241 N242 I243 E261 R262 L304 N306
Binding residue
(residue number reindexed from 1)		V231 G234 N235 I236 E254 R255 L297 N299
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6v4l, PDBe:6v4l, PDBj:6v4l
PDBsum6v4l
PubMed31992706
UniProtQ87KD2

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