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6EY8

Estimation of relative drug-target residence times by random acceleration molecular dynamics simulation

Functional Information from GO Data
ChainGOidnamespacecontents
A0005524molecular_functionATP binding
A0006457biological_processprotein folding
A0016887molecular_functionATP hydrolysis activity
A0051082molecular_functionunfolded protein binding
A0140662molecular_functionATP-dependent protein folding chaperone
Functional Information from PDB Data
site_idAC1
Number of Residues2
Detailsbinding site for residue DMS A 301
ChainResidue
ATYR61
AC4T302

site_idAC2
Number of Residues14
Detailsbinding site for residue C4T A 302
ChainResidue
APHE138
AVAL150
ATHR184
AVAL186
ADMS301
AHOH455
AHOH459
AASN51
AALA55
AASP93
AILE96
AGLY97
AMET98
ALEU107

site_idAC3
Number of Residues5
Detailsbinding site for residue SO4 A 303
ChainResidue
AGLU75
AHIS77
AASN79
AHOH405
AHOH424

Functional Information from PROSITE/UniProt
site_idPS00298
Number of Residues10
DetailsHSP90 Heat shock hsp90 proteins family signature. YsNKEIFLRE
ChainResidueDetails
ATYR38-GLU47

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues3
DetailsBinding site: {}
ChainResidueDetails

site_idSWS_FT_FI2
Number of Residues1
DetailsBinding site: {"evidences":[{"evidenceCode":"ECO:0000250"}]}
ChainResidueDetails

site_idSWS_FT_FI3
Number of Residues2
DetailsModified residue: {"description":"N6-acetyllysine","evidences":[{"source":"UniProtKB","id":"P07901","evidenceCode":"ECO:0000250"}]}
ChainResidueDetails

239492

PDB entries from 2025-07-30

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