Zinc in PDB 5umh: Crystal Structure of Catechol 1,2-Dioxygenase Protein From Burkholderia Multivorans

All present enzymatic activity of Crystal Structure of Catechol 1,2-Dioxygenase Protein From Burkholderia Multivorans:
1.13.11.1;

The structure of Crystal Structure of Catechol 1,2-Dioxygenase Protein From Burkholderia Multivorans, PDB code: 5umh was solved by Seattle Structural 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)	31.15 / 1.35
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	115.220, 52.330, 121.290, 90.00, 93.15, 90.00
R / Rfree (%)	13 / 16.3

The structure of Crystal Structure of Catechol 1,2-Dioxygenase Protein From Burkholderia Multivorans also contains other interesting chemical elements:

Chlorine	(Cl)	1 atom
Calcium	(Ca)	1 atom

The binding sites of Zinc atom in the Crystal Structure of Catechol 1,2-Dioxygenase Protein From Burkholderia Multivorans (pdb code 5umh). 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 Catechol 1,2-Dioxygenase Protein From Burkholderia Multivorans, PDB code: 5umh:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of Catechol 1,2-Dioxygenase Protein From Burkholderia Multivorans


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 Catechol 1,2-Dioxygenase Protein From Burkholderia Multivorans within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn401 b:12.8 occ:0.84 O1 A:EDO402 1.9 27.7 0.5 OH A:TYR164 1.9 12.5 1.0 O A:HOH507 2.1 26.6 0.5 NE2 A:HIS226 2.1 12.0 1.0 NE2 A:HIS224 2.1 10.8 1.0 O A:HOH797 2.2 27.6 0.6 OH A:TYR200 2.3 18.6 0.5 O2 A:EDO402 2.6 26.5 0.5 C1 A:EDO402 3.0 27.0 0.5 CZ A:TYR164 3.0 10.9 1.0 CD2 A:HIS226 3.0 11.2 1.0 CE1 A:HIS224 3.0 11.0 1.0 CE1 A:HIS226 3.1 12.0 1.0 CD2 A:HIS224 3.1 10.6 1.0 C2 A:EDO402 3.4 27.5 0.5 CZ A:TYR200 3.4 17.7 0.5 CE1 A:TYR164 3.7 11.3 1.0 NH1 A:ARG221 3.7 13.3 0.5 CE1 A:TYR200 3.8 16.9 0.5 O A:HOH925 3.9 32.8 0.7 CE2 A:TYR164 3.9 11.7 1.0 O A:HOH556 4.0 10.3 1.0 NH2 A:ARG221 4.1 13.4 0.5 ND1 A:HIS226 4.2 10.1 1.0 ND1 A:HIS224 4.2 11.1 1.0 CG A:HIS226 4.2 9.8 1.0 CG A:HIS224 4.2 9.8 1.0 O A:HOH726 4.4 11.3 1.0 CE2 A:TYR200 4.6 17.8 0.5 CZ A:ARG221 4.8 13.6 0.5 CD A:ARG221 4.9 12.9 0.5 CD1 A:TYR164 5.0 11.7 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of Catechol 1,2-Dioxygenase Protein From Burkholderia Multivorans


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 Catechol 1,2-Dioxygenase Protein From Burkholderia Multivorans within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn401 b:17.8 occ:1.00 OH B:TYR164 1.9 14.2 1.0 O B:HOH511 2.0 17.3 0.5 NE2 B:HIS226 2.1 12.6 1.0 NE2 B:HIS224 2.1 13.0 1.0 O1 B:EDO402 2.2 26.7 0.5 O B:HOH501 2.3 24.9 0.5 OH B:TYR200 2.3 17.9 0.5 C2 B:EDO402 2.4 26.6 0.5 O2 B:EDO402 2.5 25.9 0.5 C1 B:EDO402 2.8 26.6 0.5 CZ B:TYR164 3.0 13.3 1.0 CE1 B:HIS224 3.0 13.0 1.0 CD2 B:HIS226 3.0 12.8 1.0 CE1 B:HIS226 3.0 12.5 1.0 CD2 B:HIS224 3.1 12.9 1.0 CZ B:TYR200 3.5 17.4 0.5 CE1 B:TYR164 3.7 14.8 1.0 O B:HOH746 3.8 28.7 0.6 CE1 B:TYR200 3.9 16.2 0.5 CE2 B:TYR164 3.9 14.3 1.0 NH1 B:ARG221 4.0 22.4 0.5 O B:HOH559 4.0 13.0 1.0 ND1 B:HIS226 4.2 12.7 1.0 ND1 B:HIS224 4.2 13.7 1.0 CG B:HIS226 4.2 12.5 1.0 NH1 B:ARG221 4.2 10.6 0.5 CG B:HIS224 4.2 12.7 1.0 O B:HOH653 4.4 12.8 1.0 CE2 B:TYR200 4.7 17.1 0.5 CZ B:ARG221 4.9 20.4 0.5 CD1 B:TYR164 5.0 13.5 1.0

S.L.Delker, J.Abendroth, D.Lorimer, T.E.Edwards. Crystal Structure of Catechol 1,2-Dioxygenase Protein, From Burkholderia Multivorans Atcc 17616 To Be Published.