Chlorine in PDB 2vre: Crystal Structure of Human Peroxisomal DELTA3,5,DELTA2,4-Dienoyl Coa Isomerase

The structure of Crystal Structure of Human Peroxisomal DELTA3,5,DELTA2,4-Dienoyl Coa Isomerase, PDB code: 2vre was solved by W.Yue, K.Guo, F.Von Delft, E.Pilka, J.Murray, A.Roos, G.Kochan, C.Bountra, C.Arrowsmith, M.Wikstrom, A.Edwards, U.Oppermann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	93.25 / 1.95
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	127.580, 137.253, 96.137, 90.00, 90.00, 90.00
R / Rfree (%)	16.7 / 20.2

The binding sites of Chlorine atom in the Crystal Structure of Human Peroxisomal DELTA3,5,DELTA2,4-Dienoyl Coa Isomerase (pdb code 2vre). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Crystal Structure of Human Peroxisomal DELTA3,5,DELTA2,4-Dienoyl Coa Isomerase, PDB code: 2vre:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in the Crystal Structure of Human Peroxisomal DELTA3,5,DELTA2,4-Dienoyl Coa Isomerase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Human Peroxisomal DELTA3,5,DELTA2,4-Dienoyl Coa Isomerase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1290 b:52.6 occ:1.00 O A:HOH2116 3.6 40.3 1.0 ND2 B:ASN192 3.6 31.7 1.0 O B:HOH2097 3.7 39.4 1.0 CA A:GLY215 3.8 34.0 1.0 O A:GLY213 3.9 36.2 1.0 O B:HOH2095 3.9 32.3 1.0 N A:GLY215 4.0 34.2 1.0 CB B:ASN192 4.1 34.4 1.0 O B:GLY213 4.1 37.9 1.0 O A:LEU212 4.1 33.3 1.0 CG B:ASN192 4.3 36.2 1.0 C A:SER214 4.5 35.3 1.0 CA B:SER214 4.5 34.1 1.0 C A:GLY213 4.7 32.9 1.0 O A:HOH2118 4.7 26.0 1.0 O A:SER214 4.8 34.6 1.0 O A:HOH2120 4.9 44.2 1.0 C B:GLY213 4.9 36.7 1.0

Chlorine binding site 2 out of 6 in the Crystal Structure of Human Peroxisomal DELTA3,5,DELTA2,4-Dienoyl Coa Isomerase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Human Peroxisomal DELTA3,5,DELTA2,4-Dienoyl Coa Isomerase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1291 b:30.0 occ:1.00 CD1 A:TRP114 4.1 43.4 1.0 NE1 A:TRP114 4.2 42.9 1.0 CG A:TRP114 4.3 38.6 1.0 CE2 A:TRP114 4.4 34.6 1.0 CD2 A:TRP114 4.5 34.8 1.0 CB A:TRP114 5.0 33.2 1.0 O A:HOH2058 5.0 50.2 1.0

Chlorine binding site 3 out of 6 in the Crystal Structure of Human Peroxisomal DELTA3,5,DELTA2,4-Dienoyl Coa Isomerase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Human Peroxisomal DELTA3,5,DELTA2,4-Dienoyl Coa Isomerase within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1283 b:30.0 occ:1.00 OD1 B:ASP179 3.4 38.0 1.0 OD2 B:ASP179 3.8 35.1 1.0 CG B:ASP179 4.0 39.0 1.0 CD2 B:TYR123 4.3 56.4 1.0 CG1 B:ILE120 4.6 35.4 1.0 CG2 B:VAL180 4.7 34.5 1.0 CD1 B:LEU176 4.9 41.3 1.0 CD1 A:LEU276 4.9 35.8 1.0 CG B:TYR123 5.0 43.8 1.0 CB B:TYR123 5.0 36.4 1.0 CA B:ILE120 5.0 34.0 1.0 CE2 B:TYR123 5.0 60.5 1.0

Chlorine binding site 4 out of 6 in the Crystal Structure of Human Peroxisomal DELTA3,5,DELTA2,4-Dienoyl Coa Isomerase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Human Peroxisomal DELTA3,5,DELTA2,4-Dienoyl Coa Isomerase within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1284 b:30.0 occ:1.00 OE1 B:GLN247 3.8 39.6 1.0 CD B:GLN247 4.4 42.7 1.0 CG2 B:VAL244 4.5 38.1 1.0 NE2 B:GLN247 4.6 35.3 1.0 O B:PRO243 4.6 35.0 1.0 N B:VAL244 4.7 33.5 1.0 C B:PRO243 4.7 36.2 1.0 CA B:VAL244 4.7 35.3 1.0 CB B:PRO243 4.7 35.3 1.0

Chlorine binding site 5 out of 6 in the Crystal Structure of Human Peroxisomal DELTA3,5,DELTA2,4-Dienoyl Coa Isomerase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of Human Peroxisomal DELTA3,5,DELTA2,4-Dienoyl Coa Isomerase within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl1283 b:49.6 occ:1.00 CA C:GLY215 3.8 34.0 1.0 ND2 A:ASN192 3.8 32.1 1.0 O A:HOH2117 3.8 29.6 1.0 O C:GLY213 3.9 35.7 1.0 O C:HOH2068 3.9 35.4 1.0 N C:GLY215 4.0 34.0 1.0 O A:GLY213 4.1 36.2 1.0 CB A:ASN192 4.2 32.1 1.0 O C:LEU212 4.3 33.3 1.0 C C:SER214 4.4 33.4 1.0 CA A:SER214 4.5 33.3 1.0 CG A:ASN192 4.5 36.7 1.0 O C:SER214 4.5 33.0 1.0 O C:HOH2071 4.6 31.9 1.0 C C:GLY213 4.7 35.2 1.0 C A:GLY213 4.8 32.9 1.0 N A:SER214 5.0 32.5 1.0

Chlorine binding site 6 out of 6 in the Crystal Structure of Human Peroxisomal DELTA3,5,DELTA2,4-Dienoyl Coa Isomerase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of Human Peroxisomal DELTA3,5,DELTA2,4-Dienoyl Coa Isomerase within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl1284 b:57.5 occ:1.00 O B:HOH2094 3.6 43.0 1.0 ND2 C:ASN192 3.7 34.2 1.0 O C:HOH2070 3.7 47.4 1.0 CA B:GLY215 3.8 35.4 1.0 O C:HOH2069 3.9 34.7 1.0 N B:GLY215 4.0 35.3 1.0 O B:GLY213 4.1 37.9 1.0 CB C:ASN192 4.1 34.6 1.0 O C:GLY213 4.2 35.7 1.0 O B:LEU212 4.3 35.0 1.0 CG C:ASN192 4.4 33.1 1.0 CA C:SER214 4.5 33.6 1.0 C B:SER214 4.6 36.3 1.0 C B:GLY213 4.8 36.7 1.0 O B:HOH2096 4.8 25.1 1.0 O B:SER214 4.8 36.5 1.0 C C:GLY213 4.9 35.2 1.0

W.Yue, K.Guo, F.Von Delft, E.Pilka, J.Murray, A.Roos, G.Kochan, C.Bountra, C.Arrowsmith, M.Wikstrom, A.Edwards, U.Oppermann. Crystal Structure of Human Peroxisomal DELTA3,5, DELTA2,4-Dienoyl Coa Isomerase (ECH1) To Be Published.