Structure of PDB 7pqs Chain A Binding Site BS01

Receptor Information
>7pqs Chain A (length=351) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GYHLVKIGDLFNGRYHVIRKLGWGFSTVWLSWDIQGKKFVAMKVVKSAEH
YTETALDEIRLLKSVRNSDPNDPNREMVVQLLDDFKISGVNGTHICMVFE
VLGHHLLKWIIKSNYQGLPLPCVKKIIQQVLQGLDYLHTKCRIIHTDIKP
ENILLSVNEQYIRRLAAEATEWNFLVNPLEPKNAEKLKVKIADLGNACWV
HKHFTEDIQTRQYRSLEVLIGSGYNTPADIWSTACMAFELATGDYLFEPH
SGEEYTRDEDHIALIIELLGKVPRKLIVAGKYSKEFFTKKGDLKHITKLK
PWGLFEVLVEKYEWSQEEAAGFTDFLLPMLELIPEKRATAAECLRHPWLN
S
Ligand information
Ligand ID80H
InChIInChI=1S/C19H17ClFN7O2S/c1-28(31(2,29)30)19-11(4-3-8-23-19)10-24-14-7-9-22-17(26-14)18-25-13-6-5-12(20)15(21)16(13)27-18/h3-9H,10H2,1-2H3,(H,25,27)(H,22,24,26)
InChIKeyWBFJDKLBAAHKIL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CN(c1c(cccn1)CNc2ccnc(n2)c3[nH]c4c(n3)ccc(c4F)Cl)S(=O)(=O)C
CACTVS 3.385CN(c1ncccc1CNc2ccnc(n2)c3[nH]c4c(F)c(Cl)ccc4n3)[S](C)(=O)=O
FormulaC19 H17 Cl F N7 O2 S
Name~{N}-[3-[[[2-(6-chloranyl-7-fluoranyl-1~{H}-benzimidazol-2-yl)pyrimidin-4-yl]amino]methyl]pyridin-2-yl]-~{N}-methyl-methanesulfonamide
ChEMBLCHEMBL5085558
DrugBank
ZINC
PDB chain7pqs Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7pqs SRPK1 in complex with MSC2711186
Resolution2.2 Å
Binding residue
(original residue number in PDB)		L86 G87 W88 G89 V94 F165 E166 L168 G169 H170 E217 L220 Y227
Binding residue
(residue number reindexed from 1)		L21 G22 W23 G24 V28 F99 E100 L102 G103 H104 E151 L154 Y161
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.11.1: non-specific serine/threonine protein kinase.
Gene Ontology
Molecular Function
GO:0004672 protein kinase activity
GO:0005524 ATP binding
Biological Process
GO:0006468 protein phosphorylation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7pqs, PDBe:7pqs, PDBj:7pqs
PDBsum7pqs
PubMed
UniProtQ96SB4|SRPK1_HUMAN SRSF protein kinase 1 (Gene Name=SRPK1)

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