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5J79

The identification and pharmacological characterization of 6-(tert-butylsulfonyl)-N-(5-fluoro-1H-indazol-3-yl)quinolin-4-amine (GSK583), a highly potent and selective inhibitor of RIP2 Kinase, Compound 3 complex

Functional Information from GO Data
ChainGOidnamespacecontents
A0004672molecular_functionprotein kinase activity
A0005524molecular_functionATP binding
A0006468biological_processprotein phosphorylation
B0004672molecular_functionprotein kinase activity
B0005524molecular_functionATP binding
B0006468biological_processprotein phosphorylation
Functional Information from PDB Data
site_idAC1
Number of Residues11
Detailsbinding site for residue 6GE A 401
ChainResidue
ASER25
AASP164
AHOH560
AALA45
ALYS47
AGLU66
ALEU79
ATHR95
AGLU96
AMET98
ALEU153

site_idAC2
Number of Residues4
Detailsbinding site for residue SO4 A 402
ChainResidue
ALYS110
APRO114
AARG225
AHOH550

site_idAC3
Number of Residues5
Detailsbinding site for residue SO4 A 403
ChainResidue
AARG109
ALYS110
ATHR111
AGLU112
AHOH562

site_idAC4
Number of Residues11
Detailsbinding site for residue 6GE B 401
ChainResidue
BSER25
BVAL32
BALA45
BLYS47
BGLU66
BTHR95
BGLU96
BMET98
BLEU153
BASP164
BHOH532

site_idAC5
Number of Residues7
Detailsbinding site for residue SO4 B 402
ChainResidue
BHIS136
BSER282
BPHE283
BHOH501
BHOH541
BHOH560
BHOH573

site_idAC6
Number of Residues7
Detailsbinding site for residue SO4 B 403
ChainResidue
ATHR189
AILE190
AHOH511
BASN234
BLEU236
BHOH504
BHOH578

site_idAC7
Number of Residues4
Detailsbinding site for residue SO4 B 404
ChainResidue
BLYS110
BPRO114
BARG225
BHOH506

Functional Information from PROSITE/UniProt
site_idPS00108
Number of Residues13
DetailsPROTEIN_KINASE_ST Serine/Threonine protein kinases active-site signature. LlHhDLKtqNILL
ChainResidueDetails
ALEU142-LEU154

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues16
DetailsRegion: {"description":"Helix alphaC","evidences":[{"source":"PubMed","id":"28545134","evidenceCode":"ECO:0000269"}]}
ChainResidueDetails

site_idSWS_FT_FI2
Number of Residues2
DetailsActive site: {"description":"Proton acceptor","evidences":[{"source":"PubMed","id":"9705938","evidenceCode":"ECO:0000269"}]}
ChainResidueDetails

site_idSWS_FT_FI3
Number of Residues16
DetailsBinding site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU00159","evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

site_idSWS_FT_FI4
Number of Residues2
DetailsBinding site: {}
ChainResidueDetails

site_idSWS_FT_FI5
Number of Residues4
DetailsModified residue: {"description":"(Microbial infection) O-acetylthreonine; by Yersinia YopJ","evidences":[{"source":"PubMed","id":"22520462","evidenceCode":"ECO:0000269"}]}
ChainResidueDetails

site_idSWS_FT_FI6
Number of Residues2
DetailsModified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"19369195","evidenceCode":"ECO:0007744"}]}
ChainResidueDetails

site_idSWS_FT_FI7
Number of Residues1
DetailsModified residue: {"description":"(Microbial infection) O-acetylserine; by Yersinia YopJ","evidences":[{"source":"PubMed","id":"22520462","evidenceCode":"ECO:0000269"}]}
ChainResidueDetails

site_idSWS_FT_FI8
Number of Residues4
DetailsCross-link: {"description":"Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin)","evidences":[{"source":"PubMed","id":"18079694","evidenceCode":"ECO:0000269"}]}
ChainResidueDetails

248636

PDB entries from 2026-02-04

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