Zinc in PDB 4nx4: Re-Refinement of Cap-1 Hiv-Ca Complex

The structure of Re-Refinement of Cap-1 Hiv-Ca Complex, PDB code: 4nx4 was solved by P.T.Lang, J.M.Holton, J.S.Fraser, T.Alber, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	53.15 / 1.50
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	42.187, 62.777, 106.286, 90.00, 90.00, 90.00
R / Rfree (%)	14.5 / 19.1

The structure of Re-Refinement of Cap-1 Hiv-Ca Complex also contains other interesting chemical elements:

Chlorine

(Cl)

3 atoms

The binding sites of Zinc atom in the Re-Refinement of Cap-1 Hiv-Ca Complex (pdb code 4nx4). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Re-Refinement of Cap-1 Hiv-Ca Complex, PDB code: 4nx4:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Re-Refinement of Cap-1 Hiv-Ca Complex


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Re-Refinement of Cap-1 Hiv-Ca Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn202 b:18.3 occ:1.00 O C:HOH385 2.0 19.5 1.0 ND1 C:HIS87 2.1 18.8 1.0 CE1 C:HIS87 3.0 20.9 1.0 HE1 C:HIS87 3.1 25.0 1.0 CG C:HIS87 3.1 18.4 1.0 HB2 C:HIS87 3.3 20.2 1.0 HB3 C:HIS87 3.5 20.2 1.0 CB C:HIS87 3.5 16.8 1.0 O C:HOH380 3.7 42.1 1.0 HG12 C:ILE91 4.0 41.0 1.0 O C:GLY89 4.0 22.8 1.0 NE2 C:HIS87 4.1 21.7 1.0 O C:HOH362 4.2 39.3 1.0 CD2 C:HIS87 4.2 20.1 1.0 HG13 C:ILE91 4.3 41.0 1.0 HA C:ILE91 4.3 35.1 1.0 CG1 C:ILE91 4.6 34.2 1.0 HA C:PRO90 4.8 27.8 1.0 N C:ILE91 5.0 26.6 1.0 O C:HOH366 5.0 26.9 1.0

Zinc binding site 2 out of 2 in the Re-Refinement of Cap-1 Hiv-Ca Complex


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Re-Refinement of Cap-1 Hiv-Ca Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn203 b:41.7 occ:0.62 NE2 C:HIS120 2.0 26.5 0.4 NE2 C:HIS120 2.0 36.8 0.6 HE1 C:HIS120 2.6 32.2 0.4 CE1 C:HIS120 2.6 26.8 0.4 CE1 C:HIS120 2.8 35.0 0.6 HE1 C:HIS120 2.9 42.0 0.6 CD2 C:HIS120 3.2 34.5 0.6 O C:HOH387 3.2 32.3 1.0 CD2 C:HIS120 3.2 26.1 0.4 HD2 C:HIS120 3.4 41.5 0.6 HE2 C:MET96 3.5 37.6 0.5 HD2 C:HIS120 3.6 31.3 0.4 ND1 C:HIS120 3.8 26.7 0.4 ND1 C:HIS120 4.0 32.2 0.6 CG C:HIS120 4.1 26.1 0.4 CG C:HIS120 4.2 31.3 0.6 CE C:MET96 4.3 31.4 0.5 HD11 C:ILE124 4.4 31.0 1.0 OE1 C:GLN95 4.4 37.2 1.0 HE3 C:MET96 4.4 37.6 0.5 HE1 C:MET96 4.4 37.6 0.5 O C:HOH398 4.5 63.0 1.0

P.T.Lang, J.M.Holton, J.S.Fraser, T.Alber. Protein Structural Ensembles Are Revealed By Redefining X-Ray Electron Density Noise. Proc.Natl.Acad.Sci.Usa V. 111 237 2014.
ISSN: ISSN 0027-8424
PubMed: 24363322
DOI: 10.1073/PNAS.1302823110