Structure of PDB 5w74 Chain B Binding Site BS01

Receptor Information
>5w74 Chain B (length=477) Species: 39152 (Methanococcus maripaludis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DAQRMNILAGRIIAETVRSTLGPKGMDKMLVDDLGDVVVTNDGVTILREM
SVEHPAAKMLIEVAKTQEKEVGDGTTTAVVVAGELLRKAEELLDQNVHPT
IVVKGYQAAAQKAQELLKTIACEVGAQDKEILTKIAMTSITGKGAEKAKE
KLAEIIVEAVSAVVDDEGKVDKDLIKIEKKSGASIDDTELIKGVLVDKER
VSAQMPKKVTDAKIALLNCAIEMLKDMVAEIKASGANVLFCQKGIDDLAQ
HYLAKEGIVAARRVKKSDMEKLAKATGANVITNIKDLSAQDLGDAGLVEE
RKISGDSMIFVEECKHPKAVTMLIRGTTEHVIEEVARAVDAAVGVVGCTI
EDGRIVSGGGSTEVELSMKLREYAEGISGREQLAVRAFADALEVIPRTLA
ENAGLDAIEILVKVRAAHASNGNKCAGLNVFTGAVEDMCENGVVEPLRVK
TQAIQSAAESTEMLLRIDDVIAAEKLR
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 chain5w74 Chain B Residue 600 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5w74 The Conformational Cycle of the Group II Chaperonin Termini
Resolution3.65 Å
Binding residue
(original residue number in PDB)		D91 G92 T94 T95 T156 G403 G404 V488 E490
Binding residue
(residue number reindexed from 1)		D73 G74 T76 T77 T138 G358 G359 V443 E445
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) D60 T93 T94 A386
Catalytic site (residue number reindexed from 1) D42 T75 T76 A341
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity
GO:0042802 identical protein binding
GO:0046872 metal ion binding
GO:0051082 unfolded protein binding
GO:0140662 ATP-dependent protein folding chaperone
Biological Process
GO:0006457 protein folding

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5w74, PDBe:5w74, PDBj:5w74
PDBsum5w74
PubMed
UniProtQ877G8

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