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4O6L

Crystal Structure of TTK kinase domain with an inhibitor: 401498 (N-[(1R)-1-(2-chlorophenyl)propyl]-3-{4-[(1-methylpiperidin-4-yl)oxy]phenyl}-1H-indazole-5-carboxamide)

Functional Information from GO Data
ChainGOidnamespacecontents
A0004672molecular_functionprotein kinase activity
A0005524molecular_functionATP binding
A0006468biological_processprotein phosphorylation
B0004672molecular_functionprotein kinase activity
B0005524molecular_functionATP binding
B0006468biological_processprotein phosphorylation
Functional Information from PDB Data
site_idAC1
Number of Residues14
DetailsBINDING SITE FOR RESIDUE 2QK A 1001
ChainResidue
AILE531
AASP664
AGLN670
AMET671
APRO673
ATPO675
AALA551
ALYS553
AILE586
AGLU603
AGLY605
AILE607
AASP608
ALEU654

site_idAC2
Number of Residues8
DetailsBINDING SITE FOR RESIDUE GOL A 1002
ChainResidue
AHIS639
APRO713
ALYS714
AVAL717
ASER781
AILE782
APRO783
AHOH1117

site_idAC3
Number of Residues19
DetailsBINDING SITE FOR RESIDUE 2QK B 1001
ChainResidue
ATPO676
BILE531
BGLY532
BSER533
BGLY534
BSER537
BALA551
BLYS553
BILE586
BMET602
BGLU603
BCYS604
BGLY605
BASN606
BILE607
BASP608
BLEU654
BASP664
BHOH1126

site_idAC4
Number of Residues8
DetailsBINDING SITE FOR RESIDUE GOL B 1002
ChainResidue
BHIS639
BPRO713
BLYS714
BVAL717
BSER781
BILE782
BPRO783
BHOH1116

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 Residues2
DetailsACT_SITE: Proton acceptor => ECO:0000255|PROSITE-ProRule:PRU00159, ECO:0000255|PROSITE-ProRule:PRU10027
ChainResidueDetails
AASP647
BASP647

site_idSWS_FT_FI2
Number of Residues4
DetailsBINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU00159
ChainResidueDetails
AILE531
ALYS553
BILE531
BLYS553

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PDB entries from 2024-07-24

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