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3HMP

Crystal structure of human Mps1 catalytic domain in complex with a quinazolin ligand Compound 4

Functional Information from GO Data
ChainGOidnamespacecontents
A0004672molecular_functionprotein kinase activity
A0005524molecular_functionATP binding
A0005975biological_processcarbohydrate metabolic process
A0006468biological_processprotein phosphorylation
Functional Information from PDB Data
site_idAC1
Number of Residues9
DetailsBINDING SITE FOR RESIDUE CX4 A 1
ChainResidue
AHOH60
AILE531
AGLN541
AALA551
AGLU603
ACYS604
AASN606
ALEU654
A7PE1153

site_idAC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE 7PE A 1153
ChainResidue
ACX41
ASER537
ALYS553
AVAL555
AGLU571
AILE663

site_idAC3
Number of Residues7
DetailsBINDING SITE FOR RESIDUE PEG A 810
ChainResidue
AASP595
AHIS636
AHIS639
APRO713
ALYS714
ASER781
AILE782

site_idAC4
Number of Residues9
DetailsBINDING SITE FOR RESIDUE GOL A 811
ChainResidue
AHOH94
ALEU557
ALEU565
AARG569
AILE593
ATHR594
AASP595
AHIS636
APRO783

site_idAC5
Number of Residues6
DetailsBINDING SITE FOR RESIDUE GOL A 2
ChainResidue
AHOH82
AILE549
ATYR589
AGLU603
ACYS604
AGLY605

site_idAC6
Number of Residues4
DetailsBINDING SITE FOR RESIDUE GOL A 3
ChainResidue
APRO750
ALYS773
AARG774
AASP775

site_idAC7
Number of Residues4
DetailsBINDING SITE FOR RESIDUE IPA A 812
ChainResidue
ALYS521
ALYS773
AGLN778
AILE780

site_idAC8
Number of Residues8
DetailsBINDING SITE FOR RESIDUE IPA A 813
ChainResidue
AHOH52
AASP647
ALEU648
ALYS649
ATHR686
ATYR689
AMET690
AGLN740

site_idAC9
Number of Residues2
DetailsBINDING SITE FOR RESIDUE IPA A 814
ChainResidue
ATYR525
ATYR550

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

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PDB entries from 2024-09-18

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