Structure of PDB 5x9u Chain B Binding Site BS01

Receptor Information
>5x9u Chain B (length=494) Species: 246194 (Carboxydothermus hydrogenoformans Z-2901) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EIEERYQALFSNAAAVKALTQVVANSLGPKGLDAMLVDRFGEVVVTNDGV
TILTLMDAQHPAARMVVNMARAQEREVGDGTTTAAVLAGALVSEGVNQIL
KGVPVSKVLAGMNRALNHALFLIRKNAIKVGSITDDRLLAAAKIAGRGDE
RVAAILRDAAAMLEDKLQDPGFKLADLVLAKVGADTTLIPGVVINKSPLW
EEGSQKLQEVRLLVLDDGLYPEEVEEEALASEAGFEQYLKNQKIFQENLK
KLKELGVKLILLTRGISDIAEEFCYENEIMVITRITQKELKRVLEFTGAR
AAKRTSLNKPVEELQKMLGYARTCFYDSRLDFTIIEGGAGKATATVLIGA
ATDEVVDEQERIAKDAAGSFAAAYRSGVLPGGGAFFLYLSREVESLKNRL
PGMESYGVMAFSEALKVPFRVMAENAGFNGLEKLGDLMTLQVQKNNYALG
LDFETGEFIDMIAGGVVDPAEVVYQAVKNASEVAISLLKINTII
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 chain5x9u Chain B Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5x9u Structural and mechanistic characterization of an archaeal-like chaperonin from a thermophilic bacterium
Resolution4.001 Å
Binding residue
(original residue number in PDB)		P37 D87 G88 T89 T90 T91 G389 G390 V474
Binding residue
(residue number reindexed from 1)		P29 D79 G80 T81 T82 T83 G381 G382 V466
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) D56 T89 T90 D373
Catalytic site (residue number reindexed from 1) D48 T81 T82 D365
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

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Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5x9u, PDBe:5x9u, PDBj:5x9u
PDBsum5x9u
PubMed29018216
UniProtQ3AF10

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