Zinc in PDB 1dqs: Crystal Structure of Dehydroquinate Synthase (Dhqs) Complexed with Carbaphosphonate, Nad+ and ZN2+

All present enzymatic activity of Crystal Structure of Dehydroquinate Synthase (Dhqs) Complexed with Carbaphosphonate, Nad+ and ZN2+:
4.6.1.3;

The structure of Crystal Structure of Dehydroquinate Synthase (Dhqs) Complexed with Carbaphosphonate, Nad+ and ZN2+, PDB code: 1dqs was solved by E.P.Carpenter, A.R.Hawkins, J.W.Frost, K.A.Brown, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.00 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	67.677, 80.810, 143.513, 90.00, 90.00, 90.00
R / Rfree (%)	17.4 / 22.4

The structure of Crystal Structure of Dehydroquinate Synthase (Dhqs) Complexed with Carbaphosphonate, Nad+ and ZN2+ also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Zinc atom in the Crystal Structure of Dehydroquinate Synthase (Dhqs) Complexed with Carbaphosphonate, Nad+ and ZN2+ (pdb code 1dqs). 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 Dehydroquinate Synthase (Dhqs) Complexed with Carbaphosphonate, Nad+ and ZN2+, PDB code: 1dqs:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of Dehydroquinate Synthase (Dhqs) Complexed with Carbaphosphonate, Nad+ and ZN2+


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 Dehydroquinate Synthase (Dhqs) Complexed with Carbaphosphonate, Nad+ and ZN2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn402 b:16.1 occ:1.00 OE2 A:GLU194 1.9 13.7 1.0 NE2 A:HIS271 1.9 11.8 1.0 NE2 A:HIS287 2.1 11.9 1.0 O4 A:CRB401 2.2 12.8 1.0 O5 A:CRB401 2.3 11.6 1.0 CD A:GLU194 2.9 13.7 1.0 CD2 A:HIS271 2.9 12.8 1.0 CE1 A:HIS271 3.0 12.4 1.0 C4 A:CRB401 3.0 11.5 1.0 CE1 A:HIS287 3.1 14.0 1.0 CD2 A:HIS287 3.1 14.6 1.0 C5 A:CRB401 3.1 11.4 1.0 OE1 A:GLU194 3.2 13.8 1.0 C5N A:NAD400 3.6 14.8 1.0 OD2 A:ASP146 3.8 17.1 1.0 C6N A:NAD400 3.9 14.2 1.0 ND1 A:HIS271 4.1 12.8 1.0 CG A:HIS271 4.1 11.3 1.0 O A:HOH1007 4.2 12.9 1.0 CG A:HIS287 4.2 12.7 1.0 CG2 A:VAL291 4.2 17.0 1.0 ND1 A:HIS287 4.2 12.9 1.0 CG A:GLU194 4.3 13.5 1.0 C4N A:NAD400 4.4 16.1 1.0 C3 A:CRB401 4.4 12.9 1.0 C6 A:CRB401 4.4 10.5 1.0 NZ A:LYS197 4.5 15.4 1.0 N1N A:NAD400 5.0 13.8 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of Dehydroquinate Synthase (Dhqs) Complexed with Carbaphosphonate, Nad+ and ZN2+


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 Dehydroquinate Synthase (Dhqs) Complexed with Carbaphosphonate, Nad+ and ZN2+ within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn402 b:15.2 occ:1.00 OE2 B:GLU194 2.0 14.7 1.0 NE2 B:HIS271 2.0 10.9 1.0 NE2 B:HIS287 2.1 11.0 1.0 O4 B:CRB401 2.2 11.5 1.0 O5 B:CRB401 2.2 11.2 1.0 CD B:GLU194 2.9 14.2 1.0 C4 B:CRB401 3.0 13.0 1.0 CD2 B:HIS271 3.0 13.3 1.0 CE1 B:HIS271 3.0 10.5 1.0 CD2 B:HIS287 3.1 13.1 1.0 C5 B:CRB401 3.1 12.9 1.0 CE1 B:HIS287 3.1 11.9 1.0 OE1 B:GLU194 3.2 15.5 1.0 C5N B:NAD400 3.5 12.0 1.0 C6N B:NAD400 3.9 11.5 1.0 OD2 B:ASP146 3.9 13.0 1.0 ND1 B:HIS271 4.1 12.2 1.0 CG B:HIS271 4.2 11.4 1.0 O B:HOH507 4.2 14.0 1.0 CG B:HIS287 4.2 10.8 1.0 ND1 B:HIS287 4.2 11.2 1.0 CG2 B:VAL291 4.3 12.8 1.0 CG B:GLU194 4.3 11.1 1.0 C4N B:NAD400 4.3 13.7 1.0 C6 B:CRB401 4.4 12.6 1.0 C3 B:CRB401 4.4 12.4 1.0 NZ B:LYS197 4.6 13.1 1.0 N1N B:NAD400 4.9 12.1 1.0

E.P.Carpenter, A.R.Hawkins, J.W.Frost, K.A.Brown. Structure of Dehydroquinate Synthase Reveals An Active Site Capable of Multistep Catalysis. Nature V. 394 299 1998.
ISSN: ISSN 0028-0836
PubMed: 9685163
DOI: 10.1038/28431