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3V3V

Structural and functional analysis of quercetagetin, a natural JNK1 inhibitor

Functional Information from GO Data
ChainGOidnamespacecontents
A0004672molecular_functionprotein kinase activity
A0004707molecular_functionMAP kinase activity
A0005524molecular_functionATP binding
A0006468biological_processprotein phosphorylation
Functional Information from PDB Data
site_idAC1
Number of Residues13
DetailsBINDING SITE FOR RESIDUE MYU A 401
ChainResidue
AVAL40
AASN114
ALEU168
AASP169
AHOH517
ALYS55
AGLU73
AMET108
AGLU109
ALEU110
AMET111
AASP112
AALA113

site_idAC2
Number of Residues3
DetailsBINDING SITE FOR RESIDUE SO4 A 402
ChainResidue
AASN28
AARG50
AASN51

site_idAC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 A 403
ChainResidue
AGLN37
AGLY38
ALYS56
ALEU57
ASER58

site_idAC4
Number of Residues3
DetailsBINDING SITE FOR RESIDUE SO4 A 404
ChainResidue
ALYS68
AARG72
AARG150

site_idAC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 A 405
ChainResidue
AARG189
AARG192
AHIS230
ATHR255
AHOH505

site_idAC6
Number of Residues3
DetailsBINDING SITE FOR RESIDUE SO4 A 406
ChainResidue
AGLY35
ALYS153
ASER155

site_idAC7
Number of Residues1
DetailsBINDING SITE FOR RESIDUE SO4 A 407
ChainResidue
AARG263

site_idAC8
Number of Residues1
DetailsBINDING SITE FOR RESIDUE CL A 408
ChainResidue
AARG127

site_idAC9
Number of Residues3
DetailsBINDING SITE FOR RESIDUE SO4 B 201
ChainResidue
BPRO154
BLYS155
BARG156

Functional Information from PROSITE/UniProt
site_idPS00108
Number of Residues13
DetailsPROTEIN_KINASE_ST Serine/Threonine protein kinases active-site signature. IiHrDLKpsNIVV
ChainResidueDetails
AILE147-VAL159

site_idPS01351
Number of Residues103
DetailsMAPK MAP kinase signature. FqnqthakrayRElvlmkcvnhkniigllnvftpqksleefqdvyivmelmdanlcqviqmeldhermsyllyqmlcgikhlhsagiih..........RDlKpsnivvksdC
ChainResidueDetails
APHE61-CYS163

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues1
DetailsActive site: {"description":"Proton acceptor","evidences":[{"source":"PROSITE-ProRule","id":"PRU00159","evidenceCode":"ECO:0000255"},{"source":"PROSITE-ProRule","id":"PRU10027","evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

site_idSWS_FT_FI2
Number of Residues9
DetailsBinding site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU00159","evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

site_idSWS_FT_FI3
Number of Residues1
DetailsModified residue: {"description":"S-nitrosocysteine","evidences":[{"source":"UniProtKB","id":"P49185","evidenceCode":"ECO:0000250"}]}
ChainResidueDetails

site_idSWS_FT_FI4
Number of Residues1
DetailsModified residue: {"description":"Phosphotyrosine; by MAP2K4","evidences":[{"source":"PubMed","id":"11062067","evidenceCode":"ECO:0000269"}]}
ChainResidueDetails

site_idSWS_FT_FI5
Number of Residues1
DetailsModified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"18691976","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"19369195","evidenceCode":"ECO:0007744"}]}
ChainResidueDetails

240971

PDB entries from 2025-08-27

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