Structure of PDB 7zkx Chain A Binding Site BS01

Receptor Information
>7zkx Chain A (length=339) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PVKIGDLFNGRYHVIRKLGWGHFSTVWLCWDMQGKRFVAMKVVKSAQHYT
ETALDEIKLLKCVRESDPSDPNKDMVVQLIDDFKISIHVCMVFEVLGHHL
LKWIIKSNYQGLPVRCVKSIIRQVLQGLDYLHSKCKIIHTDIKPENILMC
VDDAYVRRMAAELLVNPLDPRNADKIRVKIADLGNACWVHKHFTEDIQTR
QYRSIEVLIGAGYSTPADIWSTACMAFELATGDYLFEPHSGEDYSRDEDH
IAHIIELLGSIPRHFALSGKYSREFFNRRGELRHITKLKPWSLFDVLVEK
YGWPHEDAAQFTDFLIPMLEMVPEKRASAGECLRHPWLN
Ligand information
Ligand IDIXQ
InChIInChI=1S/C19H17ClFN7O2S/c1-28(31(2,29)30)19-11(4-3-6-23-19)10-24-16-5-7-22-17(27-16)18-25-14-8-12(20)13(21)9-15(14)26-18/h3-9H,10H2,1-2H3,(H,25,26)(H,22,24,27)
InChIKeySSZBLNIVOGDOJH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CN(c1c(cccn1)CNc2ccnc(n2)c3[nH]c4cc(c(cc4n3)F)Cl)S(=O)(=O)C
CACTVS 3.385CN(c1ncccc1CNc2ccnc(n2)c3[nH]c4cc(Cl)c(F)cc4n3)[S](C)(=O)=O
FormulaC19 H17 Cl F N7 O2 S
NameN-[3-[[[2-(6-chloranyl-5-fluoranyl-1H-benzimidazol-2-yl)pyrimidin-4-yl]amino]methyl]pyridin-2-yl]-N-methyl-methanesulfonamide;
N-(3-{[2-(5-Chloro-6-fluoro-1H-benzoimidazol-2-yl)-pyrimidin-4-ylamino]-methyl}-pyridin-2-yl)-N-methyl-methanesulfonamide
ChEMBL
DrugBank
ZINC
PDB chain7zkx Chain A Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7zkx MSC-1186, a Highly Selective Pan-SRPK Inhibitor Based on an Exceptionally Decorated Benzimidazole-Pyrimidine Core.
Resolution2.06 Å
Binding residue
(original residue number in PDB)		L98 G99 V106 L180 G181 H182 L232 M243 D541
Binding residue
(residue number reindexed from 1)		L18 G19 V26 L96 G97 H98 L148 M159 D182
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.11.1: non-specific serine/threonine protein kinase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0003723 RNA binding
GO:0004672 protein kinase activity
GO:0004674 protein serine/threonine kinase activity
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0044024 histone H2AS1 kinase activity
GO:0071889 14-3-3 protein binding
GO:0106310 protein serine kinase activity
Biological Process
GO:0000245 spliceosomal complex assembly
GO:0001525 angiogenesis
GO:0006397 mRNA processing
GO:0006468 protein phosphorylation
GO:0008284 positive regulation of cell population proliferation
GO:0008380 RNA splicing
GO:0010628 positive regulation of gene expression
GO:0016310 phosphorylation
GO:0018105 peptidyl-serine phosphorylation
GO:0030154 cell differentiation
GO:0035063 nuclear speck organization
GO:0035556 intracellular signal transduction
GO:0043525 positive regulation of neuron apoptotic process
GO:0045070 positive regulation of viral genome replication
GO:0045071 negative regulation of viral genome replication
GO:0045087 innate immune response
GO:0045787 positive regulation of cell cycle
GO:0048024 regulation of mRNA splicing, via spliceosome
GO:0050684 regulation of mRNA processing
GO:0062176 R-loop processing
Cellular Component
GO:0000785 chromatin
GO:0005634 nucleus
GO:0005654 nucleoplasm
GO:0005694 chromosome
GO:0005730 nucleolus
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0016607 nuclear speck
GO:0098793 presynapse

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7zkx, PDBe:7zkx, PDBj:7zkx
PDBsum7zkx
PubMed36516476
UniProtP78362|SRPK2_HUMAN SRSF protein kinase 2 (Gene Name=SRPK2)

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