Het-PDB Navi2 (PDB: 6B3E)

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Ligands
Code	Name	Link
MG	Magnesium ion	PoSSuM
CJM	2-[(2s)-1-(6-{[(4,5-difluoro-1h-benzimidazol-2-yl)methyl]amino}-9-ethyl-9h-purin-2-yl)piperidin-2-yl]ethan-1-ol	PoSSuM
EDO	1,2-ethanediol	PoSSuM

Non-standard Residues
Code	Name	Show
TPO	Phosphothreonine

Glycosylation
Code	Name	Emphasize

Modification
Code	Name	Show

Download interaction data: 6B3E

Code :

6B3E PDBj RCSB PDB PDBe

Header :

TRANSFERASE/INHIBITOR

Title :

Crystal structure of human CDK12/CyclinK in complex with an inhibitor

Release Data :

2017-12-27

Compound :

mol_id	molecule	chains	synonym
1	Cyclin-dependent kinase 12	A,C	Cdc2-related kinase,arginine/serine-rich,CrkRS,Cell division cycle 2-related protein kinase 7,CDC2-related protein kinase 7,Cell division protein kinase 12,hCDK12
	ec: 2.7.11.22,2.7.11.23

mol_id	molecule	chains
2	Cyclin-K	B,D

Source :

mol_id	organism_scientific	organism_common	expression_system
1	Homo sapiens (taxid:9606)	Human	Spodoptera frugiperda (taxid:7108)
	gene: CDK12, CRK7, CRKRS, KIAA0904

mol_id	organism_scientific	organism_common	expression_system
2	Homo sapiens (taxid:9606)	Human	Spodoptera frugiperda (taxid:7108)
	gene: CCNK, CPR4

Authors :

Ferguson, A.D.

Keywords :

Inhibitor, complex, kinase, TRANSFERASE, TRANSFERASE-INHIBITOR complex

Exp. method :

X-RAY DIFFRACTION ( 3.06 Å )

Citation :

Structure-Based Design of Selective Noncovalent CDK12 Inhibitors.

Johannes, J.W.,Denz, C.R.,Su, N. et al.
(2018) ChemMedChem 13 : 231 - 235

Chain :

A, C

UniProt :

Q9NYV4 (CDK12_HUMAN)

Reaction:	EC:	Evidence:
Reaction:	Physiological Direction:	Evidence:
[DNA-directed RNA polymerase] + ATP = ADP + H(+) + phospho- [DNA-directed RNA polymerase]	2.7.11.23	PubMed:20952539
	-	PubMed:20952539
ATP + L-seryl-[protein] = ADP + H(+) + O-phospho-L-seryl- [protein]	2.7.11.22	-
	-	-
ATP + L-threonyl-[protein] = ADP + H(+) + O-phospho-L- threonyl-[protein]	2.7.11.22	-
	-	-

PDB ID: 6B3E