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3UGC

Structural basis of Jak2 inhibition by the type II inhibtor NVP-BBT594

Functional Information from GO Data
ChainGOidnamespacecontents
A0004672molecular_functionprotein kinase activity
A0004713molecular_functionprotein tyrosine kinase activity
A0005524molecular_functionATP binding
A0006468biological_processprotein phosphorylation
Functional Information from PDB Data
site_idAC1
Number of Residues24
DetailsBINDING SITE FOR RESIDUE 046 A 1201
ChainResidue
ALEU855
AMET929
AGLU930
ATYR931
ALEU932
AGLY935
ALEU967
AILE973
AHIS974
ALEU983
AILE992
AVAL863
AGLY993
AASP994
APHE995
AHOH1319
AHOH1370
AALA880
AGLU898
ALEU902
ALEU905
AILE910
AVAL911
ALEU927

site_idAC2
Number of Residues9
DetailsBINDING SITE FOR RESIDUE MLI A 1202
ChainResidue
ASER1115
AARG1117
AHOH1383
AHOH1384
AHOH1385
AHOH1414
AHOH1441
AHOH1503
AHOH1566

Functional Information from PROSITE/UniProt
site_idPS00107
Number of Residues29
DetailsPROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. LGKGNFGSVEmCrydplqdntgevv.....AVKK
ChainResidueDetails
ALEU855-LYS883

site_idPS00109
Number of Residues13
DetailsPROTEIN_KINASE_TYR Tyrosine protein kinases specific active-site signature. YIHrDLATRNILV
ChainResidueDetails
ATYR972-VAL984

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues1
DetailsACT_SITE: Proton acceptor => ECO:0000255|PROSITE-ProRule:PRU00159, ECO:0000255|PROSITE-ProRule:PRU10028
ChainResidueDetails
AASP976

site_idSWS_FT_FI2
Number of Residues2
DetailsBINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU00159
ChainResidueDetails
ALEU855
ALYS882

site_idSWS_FT_FI3
Number of Residues3
DetailsMOD_RES: Phosphotyrosine; by autocatalysis => ECO:0000250|UniProtKB:Q62120
ChainResidueDetails
ATYR868
ATYR966
ATYR972

site_idSWS_FT_FI4
Number of Residues1
DetailsMOD_RES: Phosphotyrosine; by autocatalysis => ECO:0000269|PubMed:16174768
ChainResidueDetails
APHE1007

site_idSWS_FT_FI5
Number of Residues1
DetailsMOD_RES: Phosphotyrosine; by autocatalysis => ECO:0000305|PubMed:16174768
ChainResidueDetails
APHE1008

237735

PDB entries from 2025-06-18

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