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4ZJJ

PAK1 in complex with (S)-N-(tert-butyl)-3-((2-chloro-5-ethyl-8-fluoro-dibenzodiazepin-11-yl)amino)pyrrolidine-1-carboxamide

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
C0004672molecular_functionprotein kinase activity
C0005524molecular_functionATP binding
C0006468biological_processprotein phosphorylation
D0004672molecular_functionprotein kinase activity
D0005524molecular_functionATP binding
D0006468biological_processprotein phosphorylation
Functional Information from PDB Data
site_idAC1
Number of Residues15
Detailsbinding site for residue 4OR A 601
ChainResidue
AMET301
ALEU405
ATHR406
AHOH705
AHOH757
AHOH774
AHOH817
AGLU315
AVAL318
AMET319
AASN322
AILE327
AVAL328
AASN383
AHIS387

site_idAC2
Number of Residues15
Detailsbinding site for residue 4OR B 601
ChainResidue
BMET301
BGLU315
BMET319
BASN322
BILE327
BVAL328
BVAL342
BPHE379
BASN383
BHIS387
BLEU405
BTHR406
BHOH723
BHOH724
BHOH754

site_idAC3
Number of Residues13
Detailsbinding site for residue 4OR C 601
ChainResidue
CGLU315
CVAL318
CMET319
CASN322
CILE327
CVAL328
CVAL342
CPHE379
CLEU380
CASN383
CHIS387
CLEU405
CTHR406

site_idAC4
Number of Residues4
Detailsbinding site for residue MG C 602
ChainResidue
CGLU461
CHOH704
CHOH795
CHOH826

site_idAC5
Number of Residues15
Detailsbinding site for residue 4OR D 601
ChainResidue
DMET301
DGLU315
DVAL318
DMET319
DASN322
DILE327
DVAL328
DPHE379
DASN383
DHIS387
DLEU405
DTHR406
DASP407
DPHE410
DHOH803

site_idAC6
Number of Residues4
Detailsbinding site for residue MG D 602
ChainResidue
DGLU461
DHOH701
DHOH709
DHOH747

Functional Information from PROSITE/UniProt
site_idPS00107
Number of Residues24
DetailsPROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. IGQGASGTVYtAmdvatgqe..........VAIK
ChainResidueDetails
AILE276-LYS299

site_idPS00108
Number of Residues13
DetailsPROTEIN_KINASE_ST Serine/Threonine protein kinases active-site signature. ViHrDIKsdNILL
ChainResidueDetails
AVAL385-LEU397

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues4
DetailsActive site: {"description":"Proton acceptor","evidences":[{"source":"PubMed","id":"22153498","evidenceCode":"ECO:0000269"}]}
ChainResidueDetails

site_idSWS_FT_FI2
Number of Residues44
DetailsBinding site: {"evidences":[{"source":"PubMed","id":"22153498","evidenceCode":"ECO:0000269"}]}
ChainResidueDetails

site_idSWS_FT_FI3
Number of Residues4
DetailsModified residue: {"description":"Phosphotyrosine; by JAK2","evidences":[{"source":"PubMed","id":"17726028","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"17989089","evidenceCode":"ECO:0000269"}]}
ChainResidueDetails

site_idSWS_FT_FI4
Number of Residues4
DetailsModified residue: {"description":"Phosphothreonine; by autocatalysis, BRSK2 and PDPK1","evidences":[{"source":"PubMed","id":"10551809","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"10995762","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"22153498","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"22669945","evidenceCode":"ECO:0000269"}]}
ChainResidueDetails

239149

PDB entries from 2025-07-23

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