Structure of PDB 1qy8 Chain A Binding Site BS01

Receptor Information

>1qy8 Chain A (length=225) Species: 9615 (Canis lupus familiaris)

KSEKFAFQAEVNRMMKLIINSLYKNKEIFLRELISNASDALDKIRLISLT
DENALAGNEELTVKIKCDKEKNLLHVTDTGVGMTREELVKNLGTIAKSGT
SEFLNKMTEAQEDGQSTSELIGQFGVGFYSAFLVADKVIVTSKHNNDTQH
IWESDSNEFSVIADPRGNTLGRGTTITLVLKEEASDYLELDTIKNLVKKY
SQFINFPIYVWSSKTKTVWDWELMN

Ligand information

• Ligand ID: RDI
• InChI: InChI=1S/C18H23ClO6/c1-9-6-15-14(25-15)5-3-2-4-10(20)7-11-16(18(23)24-9)12(21)8-13(22)17(11)19/h9,11,14-17H,2-8H2,1H3/t9-,11-,14-,15-,16?,17+/m1/s1
• InChIKey: AECPBJMOGBFQDN-NIODCRKGSA-N
• SMILES:
  CACTVS 3.341: C[CH]1C[CH]2O[CH]2CCCCC(=O)C[CH]3[CH](Cl)C(=O)CC(=O)[CH]3C(=O)O1
  ACDLabs 10.04: O=C2CC(=O)C(Cl)C3CC(=O)CCCCC1OC1CC(OC(=O)C23)C
  OpenEye OEToolkits 1.5.0: C[C@@H]1C[C@@H]2[C@H](O2)CCCCC(=O)CC3C(C(=O)CC(=O)C3Cl)C(=O)O1
  OpenEye OEToolkits 1.5.0: CC1CC2C(O2)CCCCC(=O)CC3C(C(=O)CC(=O)C3Cl)C(=O)O1
  CACTVS 3.341: C[C@@H]1C[C@H]2O[C@@H]2CCCCC(=O)C[C@H]3[C@H](Cl)C(=O)CC(=O)[C@H]3C(=O)O1
• Formula: C18 H23 Cl O6
• Name: RADICICOL
• PDB chain: 1qy8 Chain A Residue 338

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1qy8 Structure of the N-terminal domain of GRP94. Basis for ligand specificity and regulation
• Resolution: 1.85 Å
• Binding residue (original residue number in PDB): N107 D110 K114 D149 M154 F199 I247
• Binding residue (residue number reindexed from 1): N36 D39 K43 D78 M83 F128 I176
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0005524 ATP binding
• GO:0016887 ATP hydrolysis activity
• GO:0051082 unfolded protein binding
• GO:0140662 ATP-dependent protein folding chaperone

Biological Process

• GO:0006457 protein folding

External links

• PDB: RCSB:1qy8, PDBe:1qy8, PDBj:1qy8
• PDBsum: 1qy8
• PubMed: 12970348
• UniProt: P41148|ENPL_CANLF Endoplasmin (Gene Name=HSP90B1)