Structure of PDB 5efq Chain A Binding Site BS02

Receptor Information

>5efq Chain A (length=322) Species: 9606 (Homo sapiens)

IDWGKRCVDKFDIIGIIGEGTYGQVYKARDKDTGEMVALKKVRLDNEKEG
FPITAIREIKILRQLTHQSIINMKEIVTDKEGAFYLVFEYMDHDLMGLLE
SGLVHFNENHIKSFMRQLMEGLDYCHKKNFLHRDIKCSNILLNNRGQIKL
ADFGLARLYSSEESRPYTNKVITLWYRPPELLLGEERYTPAIDVWSCGCI
LGELFTKKPIFQANQELAQLELISRICGSPCPAVWPDVIKLPYFNTMKPK
KQYRRKLREEFVFIPAAALDLFDYMLALDPSKRCTAEQALQCEFLRDVEP
SKMPPPDLPLWQDCHELWSKKR

Ligand information

• Ligand ID: AF3
• InChI: InChI=1S/Al.3FH/h;3*1H/q+3;;;/p-3
• InChIKey: KLZUFWVZNOTSEM-UHFFFAOYSA-K
• SMILES:
  ACDLabs 10.04
  CACTVS 3.341
  OpenEye OEToolkits 1.5.0: F[Al](F)F
• Formula: Al F3
• Name: ALUMINUM FLUORIDE
• PDB chain: 5efq Chain A Residue 1102

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5efq Structural and Functional Analysis of the Cdk13/Cyclin K Complex.
• Resolution: 2.0 Å
• Binding residue (original residue number in PDB): D837 K839 N842 D855
• Binding residue (residue number reindexed from 1): D134 K136 N139 D152
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): D837 K839 S841 N842 D855 S867 T876
• Catalytic site (residue number reindexed from 1): D134 K136 S138 N139 D152 S164 T173
• Enzyme Commision number: 2.7.11.22: cyclin-dependent kinase.
  2.7.11.23: [RNA-polymerase]-subunit kinase.

Gene Ontology

Molecular Function

• GO:0004672 protein kinase activity
• GO:0005524 ATP binding

Biological Process

• GO:0006468 protein phosphorylation

External links

• PDB: RCSB:5efq, PDBe:5efq, PDBj:5efq
• PDBsum: 5efq
• PubMed: 26748711
• UniProt: Q14004|CDK13_HUMAN Cyclin-dependent kinase 13 (Gene Name=CDK13)