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5EHY

Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle kinase 1 (MPS1) Using a Structure-Based Hydridization Approach

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 Residues6
Detailsbinding site for residue 7PE A 901
ChainResidue
AASN576
ALYS577
AASP763
APRO789
AEDO913
AHOH1008

site_idAC2
Number of Residues6
Detailsbinding site for residue 7PE A 902
ChainResidue
ATYR550
ATYR589
ACYS604
ALYS546
AGLN548
AILE549

site_idAC3
Number of Residues7
Detailsbinding site for residue 7PE A 903
ChainResidue
ALEU613
ALYS616
ALYS617
ATYR726
AMET727
ATHR728
AGLY730

site_idAC4
Number of Residues4
Detailsbinding site for residue 7PE A 904
ChainResidue
ALYS521
AGLU592
AGLN778
AHOH1027

site_idAC5
Number of Residues3
Detailsbinding site for residue 7PE A 905
ChainResidue
AASN570
AGLY642
AGLN794

site_idAC6
Number of Residues9
Detailsbinding site for residue 7PE A 906
ChainResidue
ATRP622
ALYS625
ASER626
ALYS629
AVAL791
AGLN792
AILE793
AGLN794
AEDO911

site_idAC7
Number of Residues8
Detailsbinding site for residue 7PE A 907
ChainResidue
ALYS553
AVAL555
ATYR568
AGLU571
AILE572
AMET600
AILE663
A5O4908

site_idAC8
Number of Residues7
Detailsbinding site for residue 5O4 A 908
ChainResidue
AILE531
AALA551
AILE586
AGLU603
AGLY605
ALEU654
A7PE907

site_idAC9
Number of Residues3
Detailsbinding site for residue EDO A 909
ChainResidue
AGLN541
AGLY605
AASN606

site_idAD1
Number of Residues5
Detailsbinding site for residue DMS A 910
ChainResidue
AGLN579
AGLN580
ASER582
AASP583
AARG587

site_idAD2
Number of Residues3
Detailsbinding site for residue EDO A 911
ChainResidue
AASP566
AGLN792
A7PE906

site_idAD3
Number of Residues6
Detailsbinding site for residue EDO A 912
ChainResidue
AASP595
AHIS639
APRO713
AILE782
APRO783
AHOH1004

site_idAD4
Number of Residues5
Detailsbinding site for residue EDO A 913
ChainResidue
AASN576
ALEU588
ATYR589
ATYR591
A7PE901

site_idAD5
Number of Residues2
Detailsbinding site for residue EDO A 914
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
DetailsActive site: {"description":"Proton acceptor","evidences":[{"source":"PROSITE-ProRule","id":"PRU00159","evidenceCode":"ECO:0000255"},{"source":"PROSITE-ProRule","id":"PRU10027","evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

site_idSWS_FT_FI2
Number of Residues9
DetailsBinding site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU00159","evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

240971

PDB entries from 2025-08-27

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