Structure of PDB 3ruw Chain A Binding Site BS02

Receptor Information

>3ruw Chain A (length=516) Species: 39152 (Methanococcus maripaludis)

QPGVLPENMKRYMGRDAQRMNILAGRIIAETVRSTLGPKGMDKMLVDDLG
DVVVTNDGVTILREMSVEHPAAKMLIEVAKTQEKEVGDGTTTAVVVAGEL
LRKAEELLDQNVHPTIVVKGYQAAAQKAQELLKTIACEVGAQDKEILTKI
AMTSITGKGAEKAKEKLAEIIVEAVSAVVDDEGKVDKDLIKIEKKSGASI
DDTELIKGVLVDKERVSAQMPKKVTDAKIALLNCAIEIKETETDAEIRIT
DPAKLMEFIEQEEKMLKDMVAEIKASGANVLFCQKGIDDLAQHYLAKEGI
VAARRVKKSDMEKLAKATGANVIAAIAALSAQDLGDAGLVEERKISGDSM
IFVEECKHPKAVTMLIRGTTEHVIEEVARAVDDAVGVVGCTIEDGRIVSG
GGSTEVELSMKLREYAEGISGREQLAVRAFADALEVIPRTLAENAGLDAI
EILVKVRAAHASNGNKCAGLNVFTGAVEDMCENGVVEPLRVKTQAIQSAA
ESTEMLLRIDDVIAAE

Ligand information

• Ligand ID: AF3
• InChI: InChI=1S/Al.3FH/h;3*1H/q+3;;;/p-3
• InChIKey: KLZUFWVZNOTSEM-UHFFFAOYSA-K
• SMILES:
  ACDLabs 10.04
  CACTVS 3.341
  OpenEye OEToolkits 1.5.0: F[Al](F)F
• Formula: Al F3
• Name: ALUMINUM FLUORIDE
• PDB chain: 3ruw Chain A Residue 546

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3ruw Mechanism of nucleotide sensing in group II chaperonins.
• Resolution: 2.702 Å
• Binding residue (original residue number in PDB): D60 G61 D91 G92 T93
• Binding residue (residue number reindexed from 1): D57 G58 D88 G89 T90
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): D60 T93 T94 D386
• Catalytic site (residue number reindexed from 1): D57 T90 T91 D383

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

External links

• PDB: RCSB:3ruw, PDBe:3ruw, PDBj:3ruw
• PDBsum: 3ruw
• PubMed: 22193720
• UniProt: Q877G8