Structure of PDB 3mia Chain A Binding Site BS02

Receptor Information
>3mia Chain A (length=325) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VECPFCDEVSKYEKLAKIGQGTFGEVFKARHRKTGQKVALKKVLMENEKE
GFPITALREIKILQLLKHENVVNLIEICRTKGSIYLVFDFCEHDLAGLLS
NVLVKFTLSEIKRVMQMLLNGLYYIHRNKILHRDMKAANVLITRDGVLKL
ADFGLARAFSLAKNSQPNRYTNRVVTLWYRPPELLLGERDYGPPIDLWGA
GCIMAEMWTRSPIMQGNTEQHQLALISQLCGSITPEVWPNVDNYELYEKL
ELVKGQKRKVKDRLKAYVRDPYALDLIDKLLVLDPAQRIDSDDALNHDFF
WSDPMPSDLKGMLSTHLTSMFEYLA
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain3mia Chain A Residue 353 [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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PDB3mia Crystal structure of HIV-1 Tat complexed with human P-TEFb.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		N154 D167
Binding residue
(residue number reindexed from 1)		N139 D152
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D149 K151 A153 N154 D167 S180 T191
Catalytic site (residue number reindexed from 1) D134 K136 A138 N139 D152 S165 T176
Enzyme Commision number 2.7.11.22: cyclin-dependent kinase.
2.7.11.23: [RNA-polymerase]-subunit kinase.
Gene Ontology
Molecular Function
GO:0000976 transcription cis-regulatory region binding
GO:0000978 RNA polymerase II cis-regulatory region sequence-specific DNA binding
GO:0001223 transcription coactivator binding
GO:0003677 DNA binding
GO:0003682 chromatin binding
GO:0003711 transcription elongation factor activity
GO:0004672 protein kinase activity
GO:0004674 protein serine/threonine kinase activity
GO:0004693 cyclin-dependent protein serine/threonine kinase activity
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0008353 RNA polymerase II CTD heptapeptide repeat kinase activity
GO:0016301 kinase activity
GO:0017069 snRNA binding
GO:0019901 protein kinase binding
GO:0097322 7SK snRNA binding
GO:0106310 protein serine kinase activity
Biological Process
GO:0006281 DNA repair
GO:0006282 regulation of DNA repair
GO:0006366 transcription by RNA polymerase II
GO:0006367 transcription initiation at RNA polymerase II promoter
GO:0006368 transcription elongation by RNA polymerase II
GO:0006468 protein phosphorylation
GO:0007346 regulation of mitotic cell cycle
GO:0008283 cell population proliferation
GO:0016310 phosphorylation
GO:0031297 replication fork processing
GO:0031440 regulation of mRNA 3'-end processing
GO:0032968 positive regulation of transcription elongation by RNA polymerase II
GO:0043923 positive regulation by host of viral transcription
GO:0045944 positive regulation of transcription by RNA polymerase II
GO:0051147 regulation of muscle cell differentiation
GO:0051647 nucleus localization
GO:0051726 regulation of cell cycle
GO:0071345 cellular response to cytokine stimulus
GO:0120186 negative regulation of protein localization to chromatin
GO:0120187 positive regulation of protein localization to chromatin
GO:0140673 transcription elongation-coupled chromatin remodeling
Cellular Component
GO:0005634 nucleus
GO:0005654 nucleoplasm
GO:0005737 cytoplasm
GO:0008023 transcription elongation factor complex
GO:0008024 cyclin/CDK positive transcription elongation factor complex
GO:0016020 membrane
GO:0016605 PML body
GO:0036464 cytoplasmic ribonucleoprotein granule
GO:0070691 P-TEFb complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3mia, PDBe:3mia, PDBj:3mia
PDBsum3mia
PubMed20535204
UniProtP50750|CDK9_HUMAN Cyclin-dependent kinase 9 (Gene Name=CDK9)

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