Loading
PDBj
MenuPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDBDonate
RCSB PDBPDBeBMRBAdv. SearchSearch help

4C4E

Structure-based design of orally bioavailable pyrrolopyridine inhibitors of the mitotic kinase MPS1

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 Residues7
DetailsBINDING SITE FOR RESIDUE 4T9 A 1796
ChainResidue
AALA551
ALYS553
AILE586
AGLU603
AGLY605
ALEU654
AHOH2037

site_idAC2
Number of Residues8
DetailsBINDING SITE FOR RESIDUE 1PE A 1797
ChainResidue
ATYR568
AGLU571
AMET600
AMET602
AILE663
AMET671
ALYS553
AVAL555

site_idAC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE 7PE A 1798
ChainResidue
AGLN548
AILE549
ATYR550
ATYR589
ACYS604

site_idAC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE 7PE A 1799
ChainResidue
ATRP622
ALYS625
ASER626
ALYS629

site_idAC5
Number of Residues2
DetailsBINDING SITE FOR RESIDUE 7PE A 1800
ChainResidue
AASN570
ATYR574

site_idAC6
Number of Residues8
DetailsBINDING SITE FOR RESIDUE 7PE A 1801
ChainResidue
AASP595
AHIS636
AHIS639
APRO713
ASER781
AILE782
APRO783
AHOH2038

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

237992

PDB entries from 2025-06-25

PDB statisticsPDBj update infoContact PDBjnumon