Het-PDB Navi2 (PDB: 6B16)

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Ligands
Code	Name		Style	Show	Link
C7Y	N~4~-(5-cyclopropyl-1h-pyrazol-3-yl)-N~2~-[(1s)-1-(1h-pyrrolo[3,2-B]pyridin-5-yl)ethyl]pyrimidine-2,4-diamine				PoSSuM
SO4	Sulfate ion				PoSSuM

Non-standard Residues
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Download interaction data: 6B16

Code :

6B16 PDBj RCSB PDB PDBe

Header :

TRANSFERASE/TRANSFERASE INHIBITOR

Title :

P21-activated kinase 1 in complex with a 4-azaindole inhibitor

Release Data :

2017-10-25

Compound :

mol_id	molecule	chains	synonym
1	Serine/threonine-protein kinase PAK 1	A,B	Alpha-PAK,p21-activated kinase 1,PAK-1,p65-PAK
	ec: 2.7.11.1 fragment: UNP residues 249-545

Source :

mol_id	organism_scientific	organism_common	expression_system
1	Homo sapiens (taxid:9606)	Human	Escherichia coli (taxid:562)
	gene: PAK1

Authors :

Rouge, L., Wang, W.

Keywords :

Kinase, inhibitor, Complex, TRANSFERASE-TRANSFERASE INHIBITOR complex

Exp. method :

X-RAY DIFFRACTION ( 2.285 Å )

Citation :

Synthesis and evaluation of a series of 4-azaindole-containing p21-activated kinase-1 inhibitors.

Lee, W.,Crawford, J.J.,Aliagas, I. et al.
(2016) Bioorg. Med. Chem. Lett. 26 : 3518 - 3524

Chain :

A, B

UniProt :

Q13153 (PAK1_HUMAN)

Reaction:	EC:	Evidence:
Reaction:	Physiological Direction:	Evidence:
ATP + L-seryl-[protein] = ADP + H(+) + O-phospho-L-seryl- [protein]	2.7.11.1	PubMed:10551809, PubMed:20417602, PubMed:22153498, PubMed:9032240
	-
ATP + L-threonyl-[protein] = ADP + H(+) + O-phospho-L- threonyl-[protein]	2.7.11.1	PubMed:10551809, PubMed:22153498, PubMed:9032240
	-	PubMed:10551809, PubMed:22153498, PubMed:9032240

PDB ID: 6B16