PDB entry 5in9
View 5in9 on RCSB PDB site
Description: Crystal structure of Grp94 bound to methyl 3-chloro-2-(2-(1-((5-chlorofuran-2-yl)methyl)-1H-imidazol-2-yl)ethyl)-4,6-dihydroxybenzoate, an inhibitor based on the BnIm and Radamide scaffolds.
Class: chaperone/inhibitor
Keywords: cation-pi interaction, BnIm and Radamide scaffold-based inhibitor, ATP binding site, CHAPERONE-INHIBITOR complex
Deposited on
2016-03-07, released
2016-05-04
The last revision prior to the SCOPe 2.07 freeze date was dated
2016-07-20, with a file datestamp of
2016-07-15.
Experiment type: XRAY
Resolution: 2.6 Å
R-factor: N/A
AEROSPACI score: 0.19
(click here for full SPACI score report)
Chains and heterogens:
- Chain 'A':
Compound: Endoplasmin
Species: Canis lupus familiaris [TaxId:9615]
Gene: HSP90B1, GRP94, TRA1
Database cross-references and differences (RAF-indexed):
Domains in SCOPe 2.07: d5in9a_ - Chain 'B':
Compound: Endoplasmin
Species: Canis lupus familiaris [TaxId:9615]
Gene: HSP90B1, GRP94, TRA1
Database cross-references and differences (RAF-indexed):
Domains in SCOPe 2.07: d5in9b_ - Heterogens: PGE, GOL, 6C0, HOH
PDB Chain Sequences:
- Chain 'A':
Sequence, based on SEQRES records: (download)
>5in9A (A:)
slreksekfafqaevnrmmkliinslyknkeiflrelisnasdaldkirlisltdenala
gneeltvkikcdkeknllhvtdtgvgmtreelvknlgtiaksgtseflnkmteaqedgqs
tseligqfgvgfysaflvadkvivtskhnndtqhiwesdsnefsviadprgntlgrgtti
tlvlkeeasdyleldtiknlvkkysqfinfpiyvwssktggggktvwdwelmn
Sequence, based on observed residues (ATOM records): (download)
>5in9A (A:)
ekfafqaevnrmmkliinslyknkeiflrelisnasdaldkirlisltdenalagneelt
vkikcdkeknllhvtdtgvgmtreelvknlgtiaksgtseflnkmteastseligqfgvg
fysaflvadkvivtskhnndtqhiwesdsnefsviadprgntlgrgttitlvlkeeasdy
leldtiknlvkkysqfinfpiyvwsskktvwdwelmn
- Chain 'B':
Sequence, based on SEQRES records: (download)
>5in9B (B:)
slreksekfafqaevnrmmkliinslyknkeiflrelisnasdaldkirlisltdenala
gneeltvkikcdkeknllhvtdtgvgmtreelvknlgtiaksgtseflnkmteaqedgqs
tseligqfgvgfysaflvadkvivtskhnndtqhiwesdsnefsviadprgntlgrgtti
tlvlkeeasdyleldtiknlvkkysqfinfpiyvwssktggggktvwdwelmn
Sequence, based on observed residues (ATOM records): (download)
>5in9B (B:)
ekfafqaevnrmmkliinslyknkeiflrelisnasdaldkirlisltdenalagneelt
vkikcdkeknllhvtdtgvgmtreelvknlgtiaksgtseflnkmteaqqstseligqfg
vgfysaflvadkvivtskhnndtqhiwesdsnefsviadprgntlgrgttitlvlkeeas
dyleldtiknlvkkysqfinfpiyvwssktvwdwelmn