Structure of PDB 7nxj Chain A

Receptor sequence
>7nxjA (length=325) Species: 9606 (Homo sapiens) [Search protein sequence]
IDWGKRCVDKFDIIGIIGEGTYGQVYKARDKDTGEMVALKKVRLDNEKEG
FPITAIREIKILRQLTHQSIINMKEIVTDKEDKKDKGAFYLVFEYMDHDL
MGLLESGLVHFNENHIKSFMRQLMEGLDYCHKKNFLHRDIKCSNILLNNR
GQIKLADFGLARLYSSEESRPYTNKVITLWYRPPELLLGEERYTPAIDVW
SCGCILGELFTKKPIFQANQELAQLELISRICGSPCPAVWPDVIKLPYFN
TMKPKKQYRRKLREEFVFIPAAALDLFDYMLALDPSKRCTAEQALQCEFL
RDVEPSKMPPPDLPLWQDCHELWSK
3D structure
PDB7nxj Structure-activity relationship study of THZ531 derivatives enables the discovery of BSJ-01-175 as a dual CDK12/13 covalent inhibitor with efficacy in Ewing sarcoma.
ChainA
Resolution2.36 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) D837 K839 S841 N842 D855 S867 T876
Catalytic site (residue number reindexed from 1) D139 K141 S143 N144 D157 S169 T178
Enzyme Commision number 2.7.11.22: cyclin-dependent kinase.
2.7.11.23: [RNA-polymerase]-subunit kinase.
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 5I1 A I711 I765 F791 Y793 M794 E803 L844 Q1015 C1017 I17 I71 F93 Y95 M96 E105 L146 Q317 C319
Gene Ontology
Molecular Function
GO:0004672 protein kinase activity
GO:0005524 ATP binding
Biological Process
GO:0006468 protein phosphorylation

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Molecular Function
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Biological Process
External links
PDB RCSB:7nxj, PDBe:7nxj, PDBj:7nxj
PDBsum7nxj
PubMed33945934
UniProtQ14004|CDK13_HUMAN Cyclin-dependent kinase 13 (Gene Name=CDK13)

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