Brand  (β version)

PDB ID: 4BE1

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Ligands
Code Name Style Show Link
CI4 2-(3-chloro-2-fluorobenzyl)-6,7-dihydroxy-2,3-dihydro-1h-isoindol-1-one PoSSuM
GOL Glycerol PoSSuM
MG Magnesium ion PoSSuM
NH4 Ammonium ion PoSSuM
SO4 Sulfate ion PoSSuM
ZN Zinc ion PoSSuM
Non-standard Residues
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Glycosylation
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Structure summary

Code : 4BE1   PDBj   RCSB PDB   PDBe
Header : TRANSFERASE/DNA
Title : PFV intasome with inhibitor XZ-116
Release Data : 2012-10-31
Compound :
mol_id molecule chains synonym
1 INTEGRASE A,B PFV INTEGRASE, IN, P42IN
ec: 2.7.7.-
mol_id molecule chains synonym
2 19 NUCLEOTIDE PREPROCESSED PFV DONOR DNA (NON-TRANSFERRED STRAND) C PFV U5 DNA
mol_id molecule chains synonym
3 17 NUCLEOTIDE PREPROCESSED PFV DONOR DNA (TRANSFERRED STRAND) D PFV U5 DNA
Source :
mol_id organism_scientific expression_system
1 HUMAN SPUMARETROVIRUS  (taxid:11963) ESCHERICHIA COLI  (taxid:562)
mol_id organism_scientific
2 HUMAN SPUMARETROVIRUS  (taxid:11963)
synthetic: yes
mol_id organism_scientific
3 HUMAN SPUMARETROVIRUS  (taxid:11963)
synthetic: yes
Authors : Hare, S., Cherepanov, P.
Keywords : TRANSFERASE-DNA COMPLEX, PROTEIN-DNA COMPLEX, DNA INTEGRATION, ENDONUCLEASE, METAL-BINDING, MULTIFUNCTIONAL ENZYME, NUCLEASE, NUCLEOTIDYLTRANSFERASE, TRANSFERASE, VIRAL NUCLEOPROTEIN, VIRION, DNA-BINDING, ZINC BINDING, HHCC MOTIF, VIRAL PROTEIN, RECOMBINATION, INHIBITOR, RECOMBINATION-INHIBITOR-DNA COMPLEX
Exp. method : X-RAY DIFFRACTION ( 2.71 Å )
Citation :

Activities, Crystal Structures and Molecular Dynamics of Dihydro-1H-Isoindole Derivatives, Inhibitors of HIV-1 Integrase.

Metifiot, M.,Maddali, K.,Johnson, B.C.  et al.
(2013)  Acs Chem.Biol.  8 : 209

PubMed: 23075516
DOI: 10.1021/CB300471N

Reaction

Chain : A, B
UniProt : P14350 (POL_FOAMV)
Reaction: EC: Evidence:
Physiological Direction:
Endonucleolytic cleavage to 5'-phosphomonoester. 3.1.26.4 PROSITE-ProRule:PRU00408
-
DNA(n) + a 2'-deoxyribonucleoside 5'-triphosphate = DNA(n+1) + diphosphate 2.7.7.49 PROSITE-ProRule:PRU00405
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DNA(n) + a 2'-deoxyribonucleoside 5'-triphosphate = DNA(n+1) + diphosphate 2.7.7.7 PROSITE-ProRule:PRU00405
-
Cofactor: Evidence: Note:
Mg(2+) ECO:0000250
Binds 2 magnesium ions for reverse transcriptase polymerase activity.
Mg(2+) ECO:0000250
Binds 2 magnesium ions for ribonuclease H (RNase H) activity. Substrate-binding is a precondition for magnesium binding.
Mg(2+) ECO:0000250
Magnesium ions are required for integrase activity. Binds at least 1, maybe 2 magnesium ions.