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