Zinc in PDB 4or5: Crystal Structure of Hiv-1 Tat Complexed with Human P-Tefb and AFF4

All present enzymatic activity of Crystal Structure of Hiv-1 Tat Complexed with Human P-Tefb and AFF4:
2.7.11.22; 2.7.11.23;

The structure of Crystal Structure of Hiv-1 Tat Complexed with Human P-Tefb and AFF4, PDB code: 4or5 was solved by J.Gu, N.D.Babayeva, Y.Suwa, A.G.Baranovskiy, D.H.Price, T.H.Tahirov, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.90 / 2.90
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	166.862, 186.739, 108.661, 90.00, 120.24, 90.00
R / Rfree (%)	22.5 / 26.7

The structure of Crystal Structure of Hiv-1 Tat Complexed with Human P-Tefb and AFF4 also contains other interesting chemical elements:

Yttrium

(Y)

16 atoms

The binding sites of Zinc atom in the Crystal Structure of Hiv-1 Tat Complexed with Human P-Tefb and AFF4 (pdb code 4or5). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the Crystal Structure of Hiv-1 Tat Complexed with Human P-Tefb and AFF4, PDB code: 4or5:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in the Crystal Structure of Hiv-1 Tat Complexed with Human P-Tefb and AFF4


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 Hiv-1 Tat Complexed with Human P-Tefb and AFF4 within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn101 b:32.4 occ:1.00 ND1 C:HIS33 2.3 32.4 1.0 SG C:CYS37 2.3 31.7 1.0 SG C:CYS22 2.3 30.6 1.0 SG C:CYS34 2.3 44.9 1.0 CB C:CYS37 3.1 36.3 1.0 CB C:CYS22 3.1 51.5 1.0 CG C:HIS33 3.2 13.4 1.0 CE1 C:HIS33 3.3 28.0 1.0 CB C:HIS33 3.4 20.7 1.0 CB C:CYS34 3.6 41.4 1.0 N C:CYS34 3.7 35.1 1.0 N C:CYS37 3.9 30.0 1.0 CA C:CYS37 4.0 30.4 1.0 CA C:CYS22 4.1 47.5 1.0 CA C:CYS34 4.2 39.1 1.0 C C:HIS33 4.3 29.1 1.0 CD2 C:HIS33 4.4 26.4 1.0 NE2 C:HIS33 4.5 32.4 1.0 CA C:HIS33 4.5 24.4 1.0 C C:CYS34 4.8 45.2 1.0 N C:CYS22 4.9 46.8 1.0 O C:CYS34 5.0 44.7 1.0 CG C:PRO18 5.0 43.0 1.0

Zinc binding site 2 out of 4 in the Crystal Structure of Hiv-1 Tat Complexed with Human P-Tefb and AFF4


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of Hiv-1 Tat Complexed with Human P-Tefb and AFF4 within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn102 b:55.4 occ:1.00 SG C:CYS27 2.3 60.3 1.0 SG C:CYS25 2.3 48.7 1.0 SG B:CYS261 2.3 90.0 1.0 SG C:CYS30 2.3 62.9 1.0 CB C:CYS25 2.7 34.9 1.0 CB B:CYS261 3.5 92.1 1.0 CB C:CYS30 3.5 60.7 1.0 CB C:CYS27 3.7 45.2 1.0 CA C:CYS25 4.1 40.9 1.0 N C:CYS30 4.1 53.4 1.0 N C:CYS27 4.3 48.3 1.0 C C:CYS25 4.3 42.9 1.0 CA C:CYS30 4.4 55.9 1.0 OG1 C:THR23 4.6 47.6 1.0 O B:ALA260 4.6 84.1 1.0 CA C:CYS27 4.6 52.3 1.0 N C:TYR26 4.6 39.8 1.0 C B:ALA260 4.7 85.5 1.0 CA B:CYS261 4.7 94.1 1.0 CD C:LYS29 4.7 53.3 1.0 N B:CYS261 4.7 87.8 1.0 O C:CYS25 4.8 46.1 1.0 CB C:LYS29 4.8 46.1 1.0

Zinc binding site 3 out of 4 in the Crystal Structure of Hiv-1 Tat Complexed with Human P-Tefb and AFF4


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Crystal Structure of Hiv-1 Tat Complexed with Human P-Tefb and AFF4 within 5.0Å range: probe atom residue distance (Å) B Occ H:Zn101 b:46.9 occ:1.00 ND1 H:HIS33 2.3 53.3 1.0 SG H:CYS37 2.3 52.4 1.0 SG H:CYS22 2.3 39.1 1.0 SG H:CYS34 2.3 38.1 1.0 CB H:CYS37 3.1 49.1 1.0 CB H:CYS34 3.2 51.8 1.0 CE1 H:HIS33 3.2 58.6 1.0 CG H:HIS33 3.3 53.1 1.0 N H:CYS34 3.4 45.8 1.0 CB H:CYS22 3.5 51.8 1.0 CB H:HIS33 3.6 43.9 1.0 CA H:CYS34 3.8 47.6 1.0 N H:CYS37 3.8 32.6 1.0 CA H:CYS37 4.0 42.1 1.0 C H:HIS33 4.0 45.8 1.0 CA H:CYS22 4.3 52.7 1.0 NE2 H:HIS33 4.4 61.8 1.0 C H:CYS34 4.4 49.4 1.0 CD2 H:HIS33 4.4 60.2 1.0 CA H:HIS33 4.4 40.2 1.0 O H:CYS34 4.5 50.7 1.0 O H:HIS33 4.8 52.9 1.0 CG H:PRO18 4.9 46.6 1.0 C H:VAL36 4.9 32.3 1.0

Zinc binding site 4 out of 4 in the Crystal Structure of Hiv-1 Tat Complexed with Human P-Tefb and AFF4


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Crystal Structure of Hiv-1 Tat Complexed with Human P-Tefb and AFF4 within 5.0Å range: probe atom residue distance (Å) B Occ H:Zn102 b:60.0 occ:1.00 SG H:CYS27 2.3 67.4 1.0 SG H:CYS25 2.3 57.5 1.0 SG H:CYS30 2.3 65.0 1.0 SG G:CYS261 2.3 95.0 1.0 CB H:CYS25 3.0 42.0 1.0 CB H:CYS30 3.1 72.8 1.0 CB G:CYS261 3.2 0.2 1.0 CA G:CYS261 3.3 0.2 1.0 N H:CYS30 3.7 69.6 1.0 CB H:CYS27 3.7 69.8 1.0 N G:CYS261 3.8 0.5 1.0 CA H:CYS30 4.0 67.5 1.0 N H:CYS27 4.1 59.3 1.0 O H:CYS27 4.2 74.7 1.0 CA H:CYS25 4.3 44.3 1.0 C H:CYS25 4.3 46.7 1.0 CA H:CYS27 4.4 67.2 1.0 C G:ALA260 4.4 0.9 1.0 N H:TYR26 4.6 48.4 1.0 O G:ALA260 4.6 0.3 1.0 C G:CYS261 4.6 0.6 1.0 C H:CYS27 4.7 73.2 1.0 CB H:LYS29 4.7 82.8 1.0 O H:CYS25 4.8 41.4 1.0 C H:LYS29 4.9 74.2 1.0 O G:CYS261 4.9 0.4 1.0 C H:TYR26 4.9 54.6 1.0 OG1 H:THR23 4.9 48.4 1.0

J.Gu, N.D.Babayeva, Y.Suwa, A.G.Baranovskiy, D.H.Price, T.H.Tahirov. Crystal Structure of Hiv-1 Tat Complexed with Human P-Tefb and AFF4. Cell Cycle V. 13 1788 2014.
ISSN: ISSN 1538-4101
PubMed: 24727379
DOI: 10.4161/CC.28756