Zinc in PDB 8dqb: Crystal Structure of 3-Dehydroquinate Dehydratase I From Klebsiella Oxytoca (I23 Form)

The structure of Crystal Structure of 3-Dehydroquinate Dehydratase I From Klebsiella Oxytoca (I23 Form), PDB code: 8dqb was solved by Seattle Structural Genomics Center For Infectious Disease, Seattlestructural Genomics Center For Infectious Disease (Ssgcid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.03 / 2.50
Space group	I 2 3
Cell size a, b, c (Å), α, β, γ (°)	164.124, 164.124, 164.124, 90, 90, 90
R / Rfree (%)	20.3 / 23.9

The binding sites of Zinc atom in the Crystal Structure of 3-Dehydroquinate Dehydratase I From Klebsiella Oxytoca (I23 Form) (pdb code 8dqb). 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 3-Dehydroquinate Dehydratase I From Klebsiella Oxytoca (I23 Form), PDB code: 8dqb:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of 3-Dehydroquinate Dehydratase I From Klebsiella Oxytoca (I23 Form)


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 3-Dehydroquinate Dehydratase I From Klebsiella Oxytoca (I23 Form) within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn401 b:67.6 occ:1.00 SG A:CYS92 2.3 64.1 1.0 SG A:CYS83 2.3 76.6 1.0 ND1 A:HIS58 2.3 59.6 1.0 O A:HOH514 2.5 53.5 1.0 CB A:CYS92 3.0 58.1 1.0 CG A:HIS58 3.3 58.9 1.0 CE1 A:HIS58 3.3 56.2 1.0 CB A:CYS83 3.3 64.4 1.0 CB A:HIS58 3.5 50.7 1.0 N A:CYS83 3.7 62.9 1.0 OE2 A:GLU60 3.7 56.8 1.0 N A:CYS92 4.0 66.9 1.0 CA A:CYS92 4.1 62.7 1.0 CA A:CYS83 4.1 62.1 1.0 CD A:GLU60 4.2 54.2 1.0 OE1 A:GLU60 4.2 53.2 1.0 NE2 A:HIS58 4.4 55.3 1.0 CD2 A:HIS58 4.4 56.1 1.0 C A:PRO82 4.8 59.6 1.0 CA A:PRO82 4.9 55.8 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of 3-Dehydroquinate Dehydratase I From Klebsiella Oxytoca (I23 Form)


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 3-Dehydroquinate Dehydratase I From Klebsiella Oxytoca (I23 Form) within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn402 b:60.1 occ:1.00 NE2 A:HIS6 2.2 55.1 1.0 NE2 A:HIS4 2.3 60.2 1.0 CE1 A:HIS4 3.0 59.6 1.0 CE1 A:HIS6 3.2 55.9 1.0 CD2 A:HIS6 3.2 56.5 1.0 CD2 A:HIS4 3.4 61.8 1.0 ND1 A:HIS4 4.3 67.5 1.0 ND1 A:HIS6 4.3 56.1 1.0 CG A:HIS6 4.3 53.1 1.0 CG A:HIS4 4.5 61.3 1.0

L.Liu, S.Seibold, K.P.Battaile, S.Lovell. Crystal Structure of 3-Dehydroquinate Dehydratase I From Klebsiella Oxytoca (I23 Form) To Be Published.