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5HTC

Crystal structure of haspin (GSG2) in complex with bisubstrate inhibitor ARC-3372

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 Residues5
Detailsbinding site for residue MPD A 801
ChainResidue
AGLU728
ATYR739
ALEU782
AASN783
APHE784

site_idAC2
Number of Residues4
Detailsbinding site for residue MPD A 802
ChainResidue
APRO571
AARG695
AILE698
AHOH1118

site_idAC3
Number of Residues6
Detailsbinding site for residue NA A 803
ChainResidue
AGLU554
APHE556
ASER684
AHOH906
AHOH938
AHOH1159

site_idAC4
Number of Residues4
Detailsbinding site for residue DMS A 804
ChainResidue
ATYR667
ALYS672
ASER674
AHOH910

site_idAC5
Number of Residues32
Detailsbinding site for residue 66M C 101
ChainResidue
AILE490
AGLY491
AGLU492
AGLY493
AVAL494
APHE495
AGLY496
AALA509
AILE557
AGLU606
APHE607
AGLY608
AGLY609
AASP611
AGLY653
ALEU656
AILE686
AASP687
ATHR689
AHOH933
AHOH935
AHOH937
AHOH940
AHOH1053
CARG2
CLYS3
CHOH202
CHOH203
CHOH206
CHOH211
CHOH212
CHOH215

site_idAC6
Number of Residues2
Detailsbinding site for Ligand 66N C 7 bound to THR C 6
ChainResidue
CGLN5
CTHR6

Functional Information from PROSITE/UniProt
site_idPS00107
Number of Residues22
DetailsPROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. IGEGVFGEVFqTiadhtp............VAIK
ChainResidueDetails
AILE490-LYS511

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues1
DetailsACT_SITE: Proton acceptor => ECO:0000255|PROSITE-ProRule:PRU00159
ChainResidueDetails
AASP649

site_idSWS_FT_FI2
Number of Residues2
DetailsBINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU00159
ChainResidueDetails
AILE490
ALYS511

site_idSWS_FT_FI3
Number of Residues2
DetailsBINDING: BINDING => ECO:0000269|PubMed:19918057, ECO:0007744|PDB:3DLZ
ChainResidueDetails
AGLU606
AASP649

site_idSWS_FT_FI4
Number of Residues1
DetailsBINDING: BINDING => ECO:0000269|PubMed:19918057
ChainResidueDetails
AASP687

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PDB entries from 2024-07-10

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