Structure of PDB 1atr Chain A Binding Site BS01

Receptor Information

>1atr Chain A (length=383) Species: 9913 (Bos taurus)

SKGPAVGIDLGTTYSCVGVFQHGKVEIIANDQGNRTTPSYVAFTDTERLI
GDAAKNQVAMNPTNTVFDAKRLIGRRFDDAVVQSDMKHWPFMVVNDAGRP
KVQVEYKGETKSFYPEEVSSMVLTKMKEIAEAYLGKTVTNAVVTVPAYFN
DSQRQATKDAGTIAGLNVLRIINEPTAAAIAYGLDKKVGAERNVLIFDLG
GGVFDVSILTIEDGIFEVKSTAGDTHLGGEDFDNRMVNHFIAEFKRKHKK
DISENKRAVRRLRTACERAKRTLSSSTQASIEIDSLYEGIDFYTSITRAR
FEELNADLFRGTLDPVEKALRDAKLDKSQIHDIVLVGGSTRIPKIQKLLQ
DFFNGKELNKSINPDEAVAYGAAVQAAILSGDK

Ligand information

• Ligand ID: PO4
• InChI: InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
• InChIKey: NBIIXXVUZAFLBC-UHFFFAOYSA-K
• SMILES:
  CACTVS 3.341: [O-][P]([O-])([O-])=O
  ACDLabs 10.04: [O-]P([O-])([O-])=O
  OpenEye OEToolkits 1.5.0: [O-]P(=O)([O-])[O-]
• Formula: O4 P
• Name: PHOSPHATE ION
• DrugBank: DB14523
• PDB chain: 1atr Chain A Residue 488

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1atr Threonine 204 of the chaperone protein Hsc70 influences the structure of the active site, but is not essential for ATP hydrolysis.
• Resolution: 2.34 Å
• Binding residue (original residue number in PDB): G12 T13 K71
• Binding residue (residue number reindexed from 1): G11 T12 K70
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): D10 K71 E175 D199
• Catalytic site (residue number reindexed from 1): D9 K70 E174 D198
• Enzyme Commision number: 3.6.4.10: non-chaperonin molecular chaperone ATPase.

Gene Ontology

Molecular Function

• GO:0005524 ATP binding
• GO:0140662 ATP-dependent protein folding chaperone

External links

• PDB: RCSB:1atr, PDBe:1atr, PDBj:1atr
• PDBsum: 1atr
• PubMed: 8226982
• UniProt: P19120|HSP7C_BOVIN Heat shock cognate 71 kDa protein (Gene Name=HSPA8)