Zinc in PDB 2ejc: Crystal Structure of Pantoate--Beta-Alanine Ligase (Panc) From Thermotoga Maritima

All present enzymatic activity of Crystal Structure of Pantoate--Beta-Alanine Ligase (Panc) From Thermotoga Maritima:
6.3.2.1;

The structure of Crystal Structure of Pantoate--Beta-Alanine Ligase (Panc) From Thermotoga Maritima, PDB code: 2ejc was solved by B.Bagautdinov, N.Kunishima, Riken Structuralgenomics/Proteomics Initiative (Rsgi), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.53 / 2.40
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	85.182, 85.182, 90.372, 90.00, 90.00, 120.00
R / Rfree (%)	21.1 / 28.6

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 22;

Binding sites:

The binding sites of Zinc atom in the Crystal Structure of Pantoate--Beta-Alanine Ligase (Panc) From Thermotoga Maritima (pdb code 2ejc). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 22 binding sites of Zinc where determined in the Crystal Structure of Pantoate--Beta-Alanine Ligase (Panc) From Thermotoga Maritima, PDB code: 2ejc:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Zinc binding site 1 out of 22 in the Crystal Structure of Pantoate--Beta-Alanine Ligase (Panc) From Thermotoga Maritima


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 Pantoate--Beta-Alanine Ligase (Panc) From Thermotoga Maritima within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn501 b:56.9 occ:1.00 OE2 A:GLU97 2.6 30.5 1.0 O A:HOH1242 2.7 46.2 1.0 OE1 A:GLU97 2.9 29.9 1.0 CD A:GLU8 3.1 50.1 1.0 CG A:GLU8 3.1 46.6 1.0 CD A:GLU97 3.1 29.8 1.0 OE2 A:GLU8 3.2 50.5 1.0 O A:HOH1195 3.5 43.9 1.0 OE1 A:GLU8 3.6 55.4 1.0 CB A:THR6 4.1 35.2 1.0 N A:ILE7 4.1 32.1 1.0 N A:GLU8 4.3 35.2 1.0 CG A:GLU97 4.5 32.3 1.0 CB A:GLU8 4.5 41.3 1.0 CG2 A:THR6 4.6 34.9 1.0 CA A:THR6 4.6 34.5 1.0 CB A:ILE7 4.7 32.3 1.0 C A:THR6 4.8 33.4 1.0 CA A:ILE7 4.9 33.1 1.0

Zinc binding site 2 out of 22 in the Crystal Structure of Pantoate--Beta-Alanine Ligase (Panc) From Thermotoga Maritima


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 Pantoate--Beta-Alanine Ligase (Panc) From Thermotoga Maritima within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn502 b:45.6 occ:1.00 OE1 A:GLU19 2.2 53.1 1.0 OE2 A:GLU16 2.5 45.7 1.0 OE1 A:GLU16 2.5 44.9 1.0 CD A:GLU16 2.8 45.2 1.0 CD A:GLU19 3.3 54.5 1.0 OE2 A:GLU19 3.8 53.4 1.0 CG A:GLU16 4.3 43.4 1.0 CG A:GLU19 4.6 53.0 1.0 CB A:GLU19 4.7 50.4 1.0 CA A:GLU16 4.8 44.2 1.0

Zinc binding site 3 out of 22 in the Crystal Structure of Pantoate--Beta-Alanine Ligase (Panc) From Thermotoga Maritima


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 Pantoate--Beta-Alanine Ligase (Panc) From Thermotoga Maritima within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn503 b:67.8 occ:1.00 CE1 A:HIS92 2.5 36.5 1.0 O A:HOH1229 2.7 38.9 1.0 NE2 A:HIS92 2.9 34.2 1.0 O A:HOH1205 3.1 31.2 1.0 O A:HOH1238 3.2 44.1 1.0 ND1 A:HIS92 3.7 34.6 1.0 CB A:PHE75 4.1 41.6 1.0 CD2 A:HIS92 4.2 34.2 1.0 CG A:PHE75 4.3 42.3 1.0 O A:HOH1284 4.4 42.0 1.0 CG A:HIS92 4.6 33.2 1.0 CD1 A:PHE75 4.6 40.8 1.0 ZN A:ZN519 4.6 0.4 1.0 CD2 A:PHE75 4.9 42.7 1.0 O A:HOH1124 4.9 46.0 1.0

Zinc binding site 4 out of 22 in the Crystal Structure of Pantoate--Beta-Alanine Ligase (Panc) From Thermotoga Maritima


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 Pantoate--Beta-Alanine Ligase (Panc) From Thermotoga Maritima within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn504 b:55.6 occ:1.00 CD2 A:HIS115 2.5 27.7 1.0 O A:HOH1248 2.5 16.8 1.0 O A:HOH1247 2.8 50.2 1.0 O A:HOH1211 2.9 40.9 1.0 CG A:HIS115 3.2 30.1 1.0 CB A:HIS115 3.5 30.5 1.0 NE2 A:HIS115 3.6 28.6 1.0 CA A:HIS115 3.7 32.4 1.0 CG A:PRO252 3.7 38.7 1.0 CD A:PRO252 3.8 36.4 1.0 N A:LEU116 4.1 31.4 1.0 O A:HOH1210 4.3 46.9 1.0 C A:HIS115 4.4 32.6 1.0 ND1 A:HIS115 4.5 31.7 1.0 CE1 A:HIS115 4.6 31.3 1.0 N A:HIS115 4.7 35.4 1.0 O A:LEU250 4.9 29.5 1.0 O A:LYS114 5.0 37.0 1.0

Zinc binding site 5 out of 22 in the Crystal Structure of Pantoate--Beta-Alanine Ligase (Panc) From Thermotoga Maritima


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of Crystal Structure of Pantoate--Beta-Alanine Ligase (Panc) From Thermotoga Maritima within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn505 b:57.6 occ:1.00 OE2 A:GLU169 2.3 44.1 1.0 CE1 A:HIS142 2.4 36.9 1.0 O A:HOH1141 2.7 41.6 1.0 CD A:GLU169 3.0 43.6 1.0 NE2 A:HIS142 3.1 36.0 1.0 OE1 A:GLU169 3.1 43.4 1.0 O A:HOH1140 3.2 31.9 1.0 ND1 A:HIS142 3.5 37.1 1.0 CD2 A:HIS142 4.3 35.6 1.0 NE A:ARG143 4.4 41.7 1.0 CG A:GLU169 4.5 41.5 1.0 CG A:HIS142 4.6 34.1 1.0 NH2 A:ARG143 4.6 44.8 1.0 O A:HOH1275 4.8 46.9 1.0 CZ A:ARG143 5.0 44.4 1.0

Zinc binding site 6 out of 22 in the Crystal Structure of Pantoate--Beta-Alanine Ligase (Panc) From Thermotoga Maritima


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 6 of Crystal Structure of Pantoate--Beta-Alanine Ligase (Panc) From Thermotoga Maritima within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn506 b:42.4 occ:1.00 OE2 A:GLU221 2.3 31.7 1.0 OE2 A:GLU254 2.4 41.1 1.0 OE1 A:GLU254 2.8 36.5 1.0 CD A:GLU254 2.9 39.2 1.0 CD A:GLU221 3.1 31.6 1.0 CG A:GLU221 3.6 32.2 1.0 OE1 A:GLU221 4.0 31.2 1.0 CG A:GLU254 4.4 36.5 1.0 NZ A:LYS224 4.4 35.9 1.0 O A:HOH1258 4.8 32.6 1.0

Zinc binding site 7 out of 22 in the Crystal Structure of Pantoate--Beta-Alanine Ligase (Panc) From Thermotoga Maritima


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 7 of Crystal Structure of Pantoate--Beta-Alanine Ligase (Panc) From Thermotoga Maritima within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn507 b:42.5 occ:1.00 OD1 A:ASP219 2.4 33.5 1.0 CG A:ASP219 3.1 28.9 1.0 OD2 A:ASP219 3.1 30.6 1.0 OE1 A:GLU254 3.9 36.5 1.0 O A:GLU254 4.0 35.2 1.0 CG A:GLU221 4.1 32.2 1.0 CB A:GLU221 4.2 31.2 1.0 O A:HOH1280 4.3 36.7 1.0 O A:HOH1260 4.4 43.3 1.0 CB A:ASP219 4.5 28.9 1.0 CB A:GLU254 4.6 34.8 1.0 N A:GLU221 4.7 28.2 1.0 C A:GLU254 4.8 35.8 1.0 CD A:GLU254 4.9 39.2 1.0 CA A:GLU254 4.9 36.4 1.0

Zinc binding site 8 out of 22 in the Crystal Structure of Pantoate--Beta-Alanine Ligase (Panc) From Thermotoga Maritima


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 8 of Crystal Structure of Pantoate--Beta-Alanine Ligase (Panc) From Thermotoga Maritima within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn508 b:40.7 occ:1.00 O A:HOH1262 2.2 11.0 1.0 ND1 A:HIS230 2.3 28.4 1.0 ZN A:ZN521 2.5 0.7 1.0 CG A:HIS230 3.1 27.8 1.0 CE1 A:HIS230 3.3 27.4 1.0 CB A:HIS230 3.3 28.6 1.0 CA A:HIS230 3.7 30.6 1.0 NE A:ARG233 3.8 49.8 1.0 CD A:ARG233 3.9 47.5 1.0 O A:HOH1256 4.2 34.1 1.0 CD2 A:HIS230 4.3 28.7 1.0 CD1 A:ILE208 4.4 29.1 1.0 NE2 A:HIS230 4.4 30.2 1.0 O A:HOH1276 4.5 43.2 1.0 N A:HIS230 4.5 30.3 1.0 O A:HOH1177 4.6 60.3 1.0 C A:HIS230 4.7 30.8 1.0 O A:HOH1164 4.8 39.4 1.0 O A:HIS230 4.8 30.3 1.0 CZ A:ARG233 4.8 50.0 1.0

Zinc binding site 9 out of 22 in the Crystal Structure of Pantoate--Beta-Alanine Ligase (Panc) From Thermotoga Maritima


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 9 of Crystal Structure of Pantoate--Beta-Alanine Ligase (Panc) From Thermotoga Maritima within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn509 b:47.3 occ:1.00 O A:HOH1266 2.2 18.3 1.0 OD1 A:ASP240 2.2 36.6 1.0 SG A:CYS117 2.5 46.0 1.0 OD2 A:ASP240 2.8 36.3 1.0 CG A:ASP240 2.8 37.2 1.0 ZN A:ZN510 3.1 59.9 1.0 CB A:CYS117 3.3 38.3 1.0 ZN A:ZN517 3.7 51.7 1.0 NH2 A:ARG121 4.1 63.8 1.0 CH2 A:TRP267 4.2 33.1 1.0 CB A:ASP240 4.3 35.9 1.0 CD2 A:TYR241 4.5 32.1 1.0 NH2 A:ARG272 4.5 36.4 1.0 CA A:CYS117 4.6 36.4 1.0 O A:HOH1278 4.6 52.7 1.0 CZ2 A:TRP267 4.7 33.4 1.0 NE A:ARG272 4.7 39.4 1.0 O A:HOH1274 4.8 26.6 1.0 O A:ASP240 4.8 33.4 1.0 CE2 A:TYR241 4.9 30.3 1.0 CA A:ASP240 4.9 33.8 1.0

Zinc binding site 10 out of 22 in the Crystal Structure of Pantoate--Beta-Alanine Ligase (Panc) From Thermotoga Maritima


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 10 of Crystal Structure of Pantoate--Beta-Alanine Ligase (Panc) From Thermotoga Maritima within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn510 b:59.9 occ:1.00 ZN A:ZN509 3.1 47.3 1.0 ZN A:ZN517 3.2 51.7 1.0 OD1 A:ASP240 3.7 36.6 1.0 O A:HOH1278 3.7 52.7 1.0 O A:HOH1274 4.2 26.6 1.0 SG A:CYS117 4.2 46.0 1.0 O A:ASP240 4.7 33.4 1.0 O A:HOH1266 4.9 18.3 1.0 CG A:ASP240 4.9 37.2 1.0

B.Bagautdinov, N.Kunishima. Crystal Structure of Pantoate--Beta-Alanine Ligase (Panc) From Thermotoga Maritima To Be Published.