Het-PDB Navi2 (PDB: 4CJR)

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Ligands
Code	Name	Link
ACT	Acetate ion	PoSSuM
CL	Chloride ion	PoSSuM
FYM	2-methoxy-6-[[[6-[(4-methoxyphenyl)methylcarbamoyl]-1,3-benzodioxol-5-yl]methyl-methyl-amino]methyl]benzoic acid	PoSSuM
SO4	Sulfate ion	PoSSuM

Non-standard Residues
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Glycosylation
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Download interaction data: 4CJR

Code :

4CJR PDBj RCSB PDB PDBe

Header :

TRANSFERASE

Title :

Interrogating HIV integrase for compounds that bind- a SAMPL challenge

Release Data :

2014-01-08

Compound :

mol_id	molecule	chains
1	INTEGRASE	A,B
	ec: 2.7.7.7 fragment: CATALYTIC DOMAIN, RESIDUES 50-212 mutation: YES

Source :

mol_id	organism_scientific	expression_system
1	HUMAN IMMUNODEFICIENCY VIRUS 1 (taxid:11676)	ESCHERICHIA COLI (taxid:511693)
	expression_system_strain: BL21 expression_system_vector_type: PLASMID expression_system_vector: PET

Authors :

Peat, T.S.

Keywords :

TRANSFERASE, STRUCTURE BASED DRUG DESIGN

Exp. method :

X-RAY DIFFRACTION ( 1.80 Å )

Citation :

Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge.

Peat, T.S.,Dolezal, O.,Newman, J. et al.
(2014) J.Comput.Aided Mol.Des. 28 : 347

PDB ID: 4CJR