Structure of PDB 3ruw Chain B Binding Site BS02

Receptor Information
>3ruw Chain B (length=516) Species: 39152 (Methanococcus maripaludis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QPGVLPENMKRYMGRDAQRMNILAGRIIAETVRSTLGPKGMDKMLVDDLG
DVVVTNDGVTILREMSVEHPAAKMLIEVAKTQEKEVGDGTTTAVVVAGEL
LRKAEELLDQNVHPTIVVKGYQAAAQKAQELLKTIACEVGAQDKEILTKI
AMTSITGKGAEKAKEKLAEIIVEAVSAVVDDEGKVDKDLIKIEKKSGASI
DDTELIKGVLVDKERVSAQMPKKVTDAKIALLNCAIEIKETETDAEIRIT
DPAKLMEFIEQEEKMLKDMVAEIKASGANVLFCQKGIDDLAQHYLAKEGI
VAARRVKKSDMEKLAKATGANVIAAIAALSAQDLGDAGLVEERKISGDSM
IFVEECKHPKAVTMLIRGTTEHVIEEVARAVDDAVGVVGCTIEDGRIVSG
GGSTEVELSMKLREYAEGISGREQLAVRAFADALEVIPRTLAENAGLDAI
EILVKVRAAHASNGNKCAGLNVFTGAVEDMCENGVVEPLRVKTQAIQSAA
ESTEMLLRIDDVIAAE
Ligand information
Ligand IDAF3
InChIInChI=1S/Al.3FH/h;3*1H/q+3;;;/p-3
InChIKeyKLZUFWVZNOTSEM-UHFFFAOYSA-K
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		F[Al](F)F
FormulaAl F3
NameALUMINUM FLUORIDE
ChEMBL
DrugBank
ZINC
PDB chain3ruw Chain B Residue 546 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3ruw Mechanism of nucleotide sensing in group II chaperonins.
Resolution2.702 Å
Binding residue
(original residue number in PDB)		D60 G61 D91 T93 K161
Binding residue
(residue number reindexed from 1)		D57 G58 D88 T90 K158
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D60 T93 T94 D386
Catalytic site (residue number reindexed from 1) D57 T90 T91 D383
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
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Biological Process
External links
PDB RCSB:3ruw, PDBe:3ruw, PDBj:3ruw
PDBsum3ruw
PubMed22193720
UniProtQ877G8

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