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3VQU

CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH 4-[(4-amino-5-cyano-6-ethoxypyridin-2- yl)amino]benzamide

Functional Information from GO Data
ChainGOidnamespacecontents
A0004672molecular_functionprotein kinase activity
A0005524molecular_functionATP binding
A0006468biological_processprotein phosphorylation
Functional Information from PDB Data
site_idAC1
Number of Residues1
DetailsBINDING SITE FOR RESIDUE IOD A 901
ChainResidue
AASP657

site_idAC2
Number of Residues2
DetailsBINDING SITE FOR RESIDUE IOD A 902
ChainResidue
AILE738
AASN739

site_idAC3
Number of Residues2
DetailsBINDING SITE FOR RESIDUE IOD A 903
ChainResidue
APRO713
AILE782

site_idAC4
Number of Residues1
DetailsBINDING SITE FOR RESIDUE IOD A 905
ChainResidue
AASP775

site_idAC5
Number of Residues1
DetailsBINDING SITE FOR RESIDUE IOD A 906
ChainResidue
AILE759

site_idAC6
Number of Residues2
DetailsBINDING SITE FOR RESIDUE IOD A 907
ChainResidue
AGLY605
AHOH1102

site_idAC7
Number of Residues9
DetailsBINDING SITE FOR RESIDUE O22 A 909
ChainResidue
AALA551
AMET602
AGLU603
ACYS604
AASN606
AILE607
AASP608
ALEU654
AILE663

Functional Information from PROSITE/UniProt
site_idPS00107
Number of Residues23
DetailsPROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. IGSGGSSKVFqVlnekkqi...........YAIK
ChainResidueDetails
AILE531-LYS553

site_idPS00108
Number of Residues13
DetailsPROTEIN_KINASE_ST Serine/Threonine protein kinases active-site signature. IvHsDLKpaNFLI
ChainResidueDetails
AILE643-ILE655

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:PRU10027
ChainResidueDetails
AASP647

site_idSWS_FT_FI2
Number of Residues2
DetailsBINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU00159
ChainResidueDetails
AILE531
ALYS553

225158

PDB entries from 2024-09-18

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