Structure of PDB 3iuc Chain C Binding Site BS02

Receptor Information
>3iuc Chain C (length=388) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NLYFQSMDVGTVVGIDLGTTYSCVGVFKNGRVEIIANDQGNRITPSYVAF
TPEGERLIGDAAKNQLTSNPENTVFDAKRLIGRTWNDPSVQQDIKFLPFK
VVEKKTKPYIQVDIGGGQTKTFAPEEISAMVLTKMKETAEAYLGKKVTHA
VVTVPAYFNDAQRQATKDAGTIAGLNVMRIINEPTAAAIAYGLDKGEKNI
LVFDLGGGTFDVSLLTIDNGVFEVVATNGDTHLGGEDFDQRVMEHFIKLY
KKKTGKDVRKDNRAVQKLRREVEKAKRALSSQHQARIEIESFYEGEDFSE
TLTRAKFEELNMDLFRSTMKPVQKVLEDSDLKKSDIDEIVLVGGSTRIPK
IQQLVKEFFNGKEPSRGINPDEAVAYGAAVQAGVLSGD
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain3iuc Chain C Residue 411 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB3iuc Crystal structures of the ATPase domains of four human Hsp70 isoforms: HSPA1L/Hsp70-hom, HSPA2/Hsp70-2, HSPA6/Hsp70B', and HSPA5/BiP/GRP78
Resolution2.4 Å
Binding residue
(original residue number in PDB)		H252 D257
Binding residue
(residue number reindexed from 1)		H232 D237
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D34 S40 F68 T69 E201 D224
Catalytic site (residue number reindexed from 1) D16 S22 F50 T51 E183 D204
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

View graph for
Molecular Function
External links
PDB RCSB:3iuc, PDBe:3iuc, PDBj:3iuc
PDBsum3iuc
PubMed20072699
UniProtP11021|BIP_HUMAN Endoplasmic reticulum chaperone BiP (Gene Name=HSPA5)

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