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6ELN

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 Residues15
Detailsbinding site for residue P4A A 301
ChainResidue
ALEU48
AGLY108
ATHR184
AVAL186
ASO4302
AHOH453
AHOH493
AASN51
AALA55
ALYS58
AASP93
AILE96
AGLY97
AMET98
ALEU107

site_idAC2
Number of Residues11
Detailsbinding site for residue SO4 A 302
ChainResidue
AASP57
ALYS58
AGLY108
AP4A301
AHOH419
AHOH430
AHOH450
AHOH456
AHOH472
AHOH520
AHOH577

site_idAC3
Number of Residues2
Detailsbinding site for residue SO4 A 303
ChainResidue
AHIS210
AHOH495

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:
ChainResidueDetails
AASN51
AASP93
APHE138

site_idSWS_FT_FI2
Number of Residues1
DetailsBINDING: BINDING => ECO:0000250
ChainResidueDetails
ALYS112

site_idSWS_FT_FI3
Number of Residues2
DetailsMOD_RES: N6-acetyllysine => ECO:0000250|UniProtKB:P07901
ChainResidueDetails
ALYS58
ALYS84

220113

PDB entries from 2024-05-22

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