Zinc in PDB 5mmb: Crystal Structure of the Prototype Foamy Virus (Pfv) Intasome in Complex with Magnesium and the Insti XZ434 (Compound 6P)

Enzymatic activity of Crystal Structure of the Prototype Foamy Virus (Pfv) Intasome in Complex with Magnesium and the Insti XZ434 (Compound 6P)

All present enzymatic activity of Crystal Structure of the Prototype Foamy Virus (Pfv) Intasome in Complex with Magnesium and the Insti XZ434 (Compound 6P):
2.7.7.49; 2.7.7.7; 3.1.26.4;

Protein crystallography data

The structure of Crystal Structure of the Prototype Foamy Virus (Pfv) Intasome in Complex with Magnesium and the Insti XZ434 (Compound 6P), PDB code: 5mmb was solved by D.P.Maskell, V.E.Pye, P.Cherepanov, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 57.77 / 2.77
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 160.490, 160.490, 123.830, 90.00, 90.00, 90.00
R / Rfree (%) 18.4 / 20.3

Other elements in 5mmb:

The structure of Crystal Structure of the Prototype Foamy Virus (Pfv) Intasome in Complex with Magnesium and the Insti XZ434 (Compound 6P) also contains other interesting chemical elements:

Fluorine (F) 2 atoms
Magnesium (Mg) 3 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of the Prototype Foamy Virus (Pfv) Intasome in Complex with Magnesium and the Insti XZ434 (Compound 6P) (pdb code 5mmb). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Crystal Structure of the Prototype Foamy Virus (Pfv) Intasome in Complex with Magnesium and the Insti XZ434 (Compound 6P), PDB code: 5mmb:

Zinc binding site 1 out of 1 in 5mmb

Go back to Zinc Binding Sites List in 5mmb
Zinc binding site 1 out of 1 in the Crystal Structure of the Prototype Foamy Virus (Pfv) Intasome in Complex with Magnesium and the Insti XZ434 (Compound 6P)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of the Prototype Foamy Virus (Pfv) Intasome in Complex with Magnesium and the Insti XZ434 (Compound 6P) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn401

b:69.7
occ:1.00
 NE2 A:HIS62 2.0 55.1 1.0
ND1 A:HIS66 2.0 56.5 1.0
SG A:CYS96 2.2 70.5 1.0
SG A:CYS99 2.3 68.9 1.0
CE1 A:HIS62 2.8 55.6 1.0
CE1 A:HIS66 3.0 64.4 1.0
CG A:HIS66 3.1 54.3 1.0
CD2 A:HIS62 3.1 55.1 1.0
CB A:CYS99 3.2 56.8 1.0
CB A:HIS66 3.4 53.3 1.0
CB A:CYS96 3.5 59.1 1.0
N A:CYS99 3.8 57.4 1.0
CA A:HIS66 4.0 60.4 1.0
ND1 A:HIS62 4.0 53.9 1.0
CA A:CYS99 4.0 64.9 1.0
NE2 A:HIS66 4.1 68.4 1.0
CD2 A:HIS66 4.2 59.1 1.0
CG A:HIS62 4.2 54.3 1.0
O A:HOH528 4.5 59.7 1.0
C A:HIS66 4.6 64.8 1.0
O A:HIS66 4.7 76.8 1.0
CA A:CYS96 4.8 66.6 1.0
C A:GLN98 4.8 62.6 1.0
CB A:GLN98 4.9 66.7 1.0
OD1 A:ASN63 4.9 73.2 1.0

Reference:

X.Z.Zhao, S.J.Smith, D.P.Maskell, M.Metifiot, V.E.Pye, K.Fesen, C.Marchand, Y.Pommier, P.Cherepanov, S.H.Hughes, T.R.Burke. Structure-Guided Optimization of Hiv Integrase Strand Transfer Inhibitors. J. Med. Chem. V. 60 7315 2017.
ISSN: ISSN 1520-4804
PubMed: 28737946
DOI: 10.1021/ACS.JMEDCHEM.7B00596
Page generated: Wed Dec 16 06:33:23 2020

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