Zinc in PDB 6n91: Crystal Structure of Adenosine Deaminase From Vibrio Cholerae Complexed with Pentostatin (Deoxycoformycin)

All present enzymatic activity of Crystal Structure of Adenosine Deaminase From Vibrio Cholerae Complexed with Pentostatin (Deoxycoformycin):
3.5.4.4;

The structure of Crystal Structure of Adenosine Deaminase From Vibrio Cholerae Complexed with Pentostatin (Deoxycoformycin), PDB code: 6n91 was solved by N.Maltseva, Y.Kim, M.Endres, L.Welk, A.Joachimiak, Center For Structuralgenomics Of Infectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.91 / 2.05
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	134.906, 134.906, 136.144, 90.00, 90.00, 120.00
R / Rfree (%)	15.4 / 17.4

The structure of Crystal Structure of Adenosine Deaminase From Vibrio Cholerae Complexed with Pentostatin (Deoxycoformycin) also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Zinc atom in the Crystal Structure of Adenosine Deaminase From Vibrio Cholerae Complexed with Pentostatin (Deoxycoformycin) (pdb code 6n91). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of Adenosine Deaminase From Vibrio Cholerae Complexed with Pentostatin (Deoxycoformycin), PDB code: 6n91:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of Adenosine Deaminase From Vibrio Cholerae Complexed with Pentostatin (Deoxycoformycin)


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 Adenosine Deaminase From Vibrio Cholerae Complexed with Pentostatin (Deoxycoformycin) within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn402 b:31.3 occ:1.00 NE2 A:HIS14 2.1 28.3 1.0 O8 A:DCF401 2.1 29.5 1.0 NE2 A:HIS12 2.1 27.3 1.0 NE2 A:HIS197 2.2 31.5 1.0 OD1 A:ASP278 2.4 28.9 1.0 CD2 A:HIS14 3.0 25.0 1.0 CD2 A:HIS12 3.1 21.6 1.0 CE1 A:HIS197 3.1 30.8 1.0 CE1 A:HIS12 3.1 29.1 1.0 CE1 A:HIS14 3.1 29.7 1.0 C8 A:DCF401 3.1 31.9 1.0 CD2 A:HIS197 3.2 27.2 1.0 C9 A:DCF401 3.2 27.5 1.0 CG A:ASP278 3.3 31.9 1.0 OD2 A:ASP278 3.5 31.4 1.0 N1 A:DCF401 3.7 30.0 1.0 C10 A:DCF401 3.9 23.2 1.0 NE2 A:HIS221 4.0 32.1 1.0 CG A:HIS14 4.2 26.4 1.0 ND1 A:HIS14 4.2 26.0 1.0 ND1 A:HIS12 4.2 26.8 1.0 CG A:HIS12 4.2 25.4 1.0 ND1 A:HIS197 4.2 28.5 1.0 CG A:HIS197 4.3 28.3 1.0 C7 A:DCF401 4.3 28.1 1.0 C2 A:DCF401 4.4 25.2 1.0 N6 A:DCF401 4.4 28.3 1.0 N4 A:DCF401 4.4 28.5 1.0 N3 A:DCF401 4.5 26.6 1.0 C5 A:DCF401 4.6 25.7 1.0 CE1 A:HIS221 4.6 31.1 1.0 CB A:ASP278 4.7 27.9 1.0 OD1 A:ASP279 4.8 33.3 1.0 CD A:ARG98 4.9 28.5 1.0 CD2 A:HIS221 4.9 32.5 1.0 CA A:ASP278 5.0 30.0 1.0 NH1 A:ARG98 5.0 29.3 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of Adenosine Deaminase From Vibrio Cholerae Complexed with Pentostatin (Deoxycoformycin)


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 Adenosine Deaminase From Vibrio Cholerae Complexed with Pentostatin (Deoxycoformycin) within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn402 b:32.3 occ:1.00 NE2 B:HIS14 2.1 32.8 1.0 NE2 B:HIS12 2.1 29.3 1.0 NE2 B:HIS197 2.2 30.8 1.0 O8 B:DCF401 2.2 32.8 1.0 OD2 B:ASP278 2.4 30.5 1.0 CD2 B:HIS14 3.1 28.6 1.0 CE1 B:HIS14 3.1 31.7 1.0 CE1 B:HIS197 3.1 30.6 1.0 CD2 B:HIS12 3.1 27.8 1.0 CE1 B:HIS12 3.1 35.3 1.0 CD2 B:HIS197 3.2 29.9 1.0 C8 B:DCF401 3.2 33.3 1.0 C9 B:DCF401 3.3 28.6 1.0 CG B:ASP278 3.3 37.4 1.0 OD1 B:ASP278 3.5 34.4 1.0 N1 B:DCF401 3.7 29.3 1.0 C10 B:DCF401 3.9 28.6 1.0 NE2 B:HIS221 3.9 33.8 1.0 ND1 B:HIS14 4.2 27.8 1.0 CG B:HIS14 4.2 29.2 1.0 ND1 B:HIS197 4.2 28.3 1.0 ND1 B:HIS12 4.2 30.5 1.0 CG B:HIS12 4.2 30.6 1.0 CG B:HIS197 4.3 31.4 1.0 C7 B:DCF401 4.3 30.3 1.0 N6 B:DCF401 4.4 31.2 1.0 C2 B:DCF401 4.4 25.4 1.0 N4 B:DCF401 4.5 30.6 1.0 N3 B:DCF401 4.5 33.3 1.0 C5 B:DCF401 4.6 26.3 1.0 CE1 B:HIS221 4.6 36.0 1.0 CB B:ASP278 4.6 29.8 1.0 OD2 B:ASP279 4.8 36.3 1.0 CD2 B:HIS221 4.8 32.6 1.0 CA B:ASP278 4.9 37.0 1.0 CD B:ARG98 4.9 30.1 1.0 NH1 B:ARG98 4.9 30.2 1.0

N.Maltseva, Y.Kim, M.Endres, L.Welk, A.Joachimiak. Crystal Structure of Adenosine Deaminase From Vibrio Cholerae Complexed with Pentostatin (Deoxycoformycin) (Casp Target) To Be Published.