Structure of PDB 6mfv Chain C Binding Site BS01

Receptor Information
>6mfv Chain C (length=641) Species: 70601 (Pyrococcus horikoshii OT3) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
APIEWESSPRVEVFVGRKRELSIIRNAKGVVVIYGIAGIGKTSLAAKAFP
NAYWYNVTGLEDFKYFAWQLGLFLSSIGFEDLLEYLRGGGNNENDIFKLI
TEGIEKTGAIIIIDDFHKFQDEKVNYLLSYLAPRIKKGKVIITTRIRPNL
GNEGVTYVNLKGLNPEEAYSLAREKEKSMTPEEFAKLYKLTFGHPLMLNL
ILESSEDTVFNFLFEEVYQMLNEEEKDLLSILSLFDEPIEYEGIKFLYDR
NPFVPLYSLMKKGLIEKKGEKYFVHDMVREFVREVSNQEEKEVYLRHVNF
LLKSKTPINFLRAFKYAIKVGSSELIRNLVELRVKEFYRIIVDFPRMYQR
LLMEVEDNPYAKIEIAIIEVQRGLFEKAIKLLKEAEPYVDEFFKCEIYSW
LADAYMELENLEKAERYLKKTKEIVEKINDMYAWFSYYAEKTKYEYYKEN
SREALKSALKELEIIRKIGDPEKEGLVLLHVGDIYLHMGNYEKGISYYQE
ALKMAKAYGIKFLEHISYMELAKGYYQLKLYEKASEYSEKAANYFLMIRN
YRRATDAMAYGSVSYIATKNLEKAEKFAKEMIRIAQSTDYPLAWAGYIFL
AAVDFLKGDDWREDYNLGKAHLKEYPWLFEAVLDELKKVFD
Ligand information
Ligand IDADP
InChIInChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyXTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
FormulaC10 H15 N5 O10 P2
NameADENOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL14830
DrugBankDB16833
ZINCZINC000012360703
PDB chain6mfv Chain C Residue 801 [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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PDB6mfv Double autoinhibition mechanism of signal transduction ATPases with numerous domains (STAND) with a tetratricopeptide repeat sensor.
Resolution3.4 Å
Binding residue
(original residue number in PDB)		V112 V114 F115 G139 G141 K142 T143 S144 L272 P296 E373 H382
Binding residue
(residue number reindexed from 1)		V11 V13 F14 G38 G40 K41 T42 S43 L171 P195 E266 H275
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0006952 defense response

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Molecular Function
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Biological Process
External links
PDB RCSB:6mfv, PDBe:6mfv, PDBj:6mfv
PDBsum6mfv
PubMed30788511
UniProtO58663

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