Brand  (β version)

PDB ID: 3TN8

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Ligands
Code Name Style Show Link
F18 4-[(E)-(3,5-diamino-1h-pyrazol-4-yl)diazenyl]phenol PoSSuM
GOL Glycerol PoSSuM
PO4 Phosphate ion PoSSuM
Non-standard Residues
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TPO Phosphothreonine
Glycosylation
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Structure summary

Code : 3TN8   PDBj   RCSB PDB   PDBe
Header : TRANSFERASE/TRANSFERASE INHIBITOR
Title : CDK9/cyclin T in complex with CAN508
Release Data : 2012-02-15
Compound :
mol_id molecule chains synonym
1 Cyclin-dependent kinase 9 A C-2K, Cell division cycle 2-like protein kinase 4, Cell division protein kinase 9, Serine/threonine-protein kinase PITALRE
ec: 2.7.11.22, 2.7.11.23
fragment: UNP residues 2-330
mol_id molecule chains synonym
2 Cyclin-T1 B CycT1, Cyclin-T
fragment: UNP residues 2-259
mutation: Q77R, E96G, F241L
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Spodoptera frugiperda  (taxid:7108)
gene: CDC2L4, CDK9
expression_system_common: Fall armyworm
expression_system_strain: SF9
expression_system_vector_type: Baculovirus
expression_system_plasmid: pVL1392
mol_id organism_scientific organism_common expression_system
2 Homo sapiens  (taxid:9606) Human Spodoptera frugiperda  (taxid:7108)
gene: CCNT1
expression_system_common: Fall armyworm
expression_system_strain: SF9
expression_system_vector_type: Baculovirus
expression_system_plasmid: pVL1392
Authors : Baumli, S., Hole, A.J., Endicott, J.E.
Keywords : cyclin dependent kinase, Kinase, cyclin, phosphotransfer, CDK-cyclin complex, TRANSFERASE-TRANSFERASE INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 2.9500 Å )
Citation :

The CDK9 C-helix Exhibits Conformational Plasticity That May Explain the Selectivity of CAN508.

Baumli, S.,Hole, A.J.,Noble, M.E.  et al.
(2012)  Acs Chem.Biol.  7 : 811 - 816

PubMed: 22292676
DOI: 10.1021/cb2004516

Reaction

Chain : A
UniProt : P50750 (CDK9_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
ATP + L-seryl-[protein] = ADP + H(+) + O-phospho-L-seryl- [protein] 2.7.11.22 PubMed:12037670, PubMed:20980437, PubMed:29335245
left-to-right
ATP + L-threonyl-[protein] = ADP + H(+) + O-phospho-L- threonyl-[protein] 2.7.11.22 PubMed:12037670, PubMed:20980437
left-to-right PubMed:12037670, PubMed:20980437
[DNA-directed RNA polymerase] + ATP = ADP + H(+) + phospho- [DNA-directed RNA polymerase] 2.7.11.23 PubMed:21127351, PubMed:28426094
left-to-right
Chain : B
UniProt : O60563 (CCNT1_HUMAN)
Reaction : -