Brand  (β version)

color scheme of protein:

hetatm:

x
information
centroid:
interaction residue:

chain: Hide other chain(s)

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

PubMed: 24532034
DOI: 10.1007/S10822-014-9721-7

Chain : A, B
UniProt : Q76353 (No found in current UniProtKB/SwissProt)
Reaction : -