Structure of PDB 8wuc Chain F Binding Site BS01

Receptor Information
>8wuc Chain F (length=528) Species: 297 (Hydrogenophilus thermoluteolus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AAKEVKFHDSARERLVAGVNLLANAVKTTLGPKGRNVVIERSFGAPIVTK
DGVTVAKEIELKDKFENMGAQMVKEVASKTADVAGDGTTTATVLAQAIVR
EGMKYVAAGMNPMDLKRGIDKAVTAIVEELKAISKPCSTTKEIAQVGTIS
ANADSSIGEIIAQAMDKVGKEGVITVEDGKSLENELEVVEGMQFDRGYLS
PYFINNPDKQVAVLDNPYILLHDKKISNIRDLLPVLEQVAKAGRPLLIIA
EDVEGEALATLVVNNLRGILKTCAVKAPGFGDRRKAMLQDIAILTGGTVI
SEEVGLSLEKATLEDLGQAKRVEVAKEHTTIIDGAGDPAKIQARVKEIRV
QIEEATSDYDREKLQERVAKLAGGVAVIKVGAATEVEMKEKKARVEDALH
ATRAAVEEGIVPGGGVALLRAREAAVAKGLKGDNPDQEAGIKIVLRAVEQ
PLREIVANAGEEPSVIVAKVLEGKGNYGYNAATGEFGDMIEMGVLDPTKV
TRSALQNAASVAGLMLTTECMIAEAPKD
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 chain8wuc Chain F Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8wuc Structural insights into thermophilic chaperonin complexes.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		L31 P33 D87 G88 T89 T90 T91 G414 G415 I456 N481 A482 V495 D497
Binding residue
(residue number reindexed from 1)		L30 P32 D86 G87 T88 T89 T90 G413 G414 I455 N480 A481 V494 D496
Annotation score4
Enzymatic activity
Enzyme Commision number 5.6.1.7: chaperonin ATPase.
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016853 isomerase activity
GO:0051082 unfolded protein binding
GO:0140662 ATP-dependent protein folding chaperone
Biological Process
GO:0006457 protein folding
GO:0009408 response to heat
GO:0042026 protein refolding
GO:0051085 chaperone cofactor-dependent protein refolding
Cellular Component
GO:0005737 cytoplasm
GO:1990220 GroEL-GroES complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8wuc, PDBe:8wuc, PDBj:8wuc
PDBsum8wuc
PubMed38492570
UniProtA0A2Z6DW38

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