Structure of PDB 5evz Chain B Binding Site BS01

Receptor Information

>5evz Chain B (length=381) Species: 9606 (Homo sapiens)

DVGTVVGIDLGTTYSCVGVFKNGRVEIIANDQGNRITPSYVAFTPEGERL
IGDAAKNQTSNPENTVFDAKRLIGRTWNDPSVQQDIKFLPFKVVEKKTKP
YIQVDIGGGQTKTFAPEEISAMVLTKMKETAEAYLGKKVTHAVVTVPAYF
NDAQRQATKDAGTIAGLNVMRIINEPTAAAIAYGLDKREGEKNILVFDLG
GGTFDVSLLTIDNGVFEVVATNGDTHLGGEDFDQRVMEHFIKLYKKKTGK
DVRKDNRAVQKLRREVEKAKRALSSQHQARIEIESFYEGEDFSETLTRAK
FEELNMDLFRSTMKPVQKVLEDSDLKKSDIDEIVLVGGSTRIPKIQQLVK
EFFNGKEPSRGINPDEAVAYGAAVQAGVLSG

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: 5evz Chain B Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5evz Probing the ATP Site of GRP78 with Nucleotide Triphosphate Analogs.
• Resolution: 1.85 Å
• Binding residue (original residue number in PDB): G36 T37 K96 E201 T229
• Binding residue (residue number reindexed from 1): G11 T12 K70 E175 T203
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): D34 K96 E201 D224
• Catalytic site (residue number reindexed from 1): D9 K70 E175 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:5evz, PDBe:5evz, PDBj:5evz
• PDBsum: 5evz
• PubMed: 27144892
• UniProt: P11021|BIP_HUMAN Endoplasmic reticulum chaperone BiP (Gene Name=HSPA5)