Chlorine in PDB 2fen: 3-Carboxy-Cis,Cis-Muconate Lactonizing Enzyme From Agrobacterium Radiobacter S2

The structure of 3-Carboxy-Cis,Cis-Muconate Lactonizing Enzyme From Agrobacterium Radiobacter S2, PDB code: 2fen was solved by L.Lehtio, A.Goldman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.99 / 2.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	94.030, 205.320, 235.740, 90.00, 90.00, 90.00
R / Rfree (%)	20 / 26.2

The binding sites of Chlorine atom in the 3-Carboxy-Cis,Cis-Muconate Lactonizing Enzyme From Agrobacterium Radiobacter S2 (pdb code 2fen). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the 3-Carboxy-Cis,Cis-Muconate Lactonizing Enzyme From Agrobacterium Radiobacter S2, PDB code: 2fen:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the 3-Carboxy-Cis,Cis-Muconate Lactonizing Enzyme From Agrobacterium Radiobacter S2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 3-Carboxy-Cis,Cis-Muconate Lactonizing Enzyme From Agrobacterium Radiobacter S2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl2002 b:31.7 occ:1.00 NH1 A:ARG312 3.1 20.9 1.0 CD B:ARG155 4.2 26.9 1.0 CZ A:ARG312 4.3 21.3 1.0 ND2 D:ASN281 4.4 41.3 1.0 OG1 B:THR154 4.5 27.3 1.0 CG B:ARG155 4.5 26.6 1.0 CB B:THR154 4.5 26.1 1.0 CD A:ARG312 4.6 25.8 1.0 NE A:ARG312 4.9 21.8 1.0 O B:THR154 5.0 26.4 1.0

Chlorine binding site 2 out of 5 in the 3-Carboxy-Cis,Cis-Muconate Lactonizing Enzyme From Agrobacterium Radiobacter S2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of 3-Carboxy-Cis,Cis-Muconate Lactonizing Enzyme From Agrobacterium Radiobacter S2 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl2003 b:25.4 occ:1.00 NH1 C:ARG312 3.8 27.4 1.0 OG1 D:THR154 4.2 29.9 1.0 CD C:ARG312 4.2 25.9 1.0 CD D:ARG155 4.3 23.5 1.0 CG D:ARG155 4.3 27.6 1.0 CZ C:ARG312 4.6 26.6 1.0 CB D:THR154 4.6 29.8 1.0 NE C:ARG312 4.8 26.1 1.0 OG1 C:THR107 4.9 27.0 1.0

Chlorine binding site 3 out of 5 in the 3-Carboxy-Cis,Cis-Muconate Lactonizing Enzyme From Agrobacterium Radiobacter S2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of 3-Carboxy-Cis,Cis-Muconate Lactonizing Enzyme From Agrobacterium Radiobacter S2 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl2004 b:40.8 occ:1.00 NH2 C:ARG224 3.2 45.3 1.0 OD2 C:ASP232 3.8 28.8 1.0 CG C:TRP227 4.0 28.2 1.0 CZ C:ARG224 4.1 45.2 1.0 CB C:TRP227 4.1 28.9 1.0 CD2 C:TRP227 4.2 28.9 1.0 NH2 D:ARG177 4.2 26.5 1.0 O C:GLN230 4.3 28.9 1.0 CZ D:ARG177 4.3 26.5 1.0 N C:GLY233 4.4 29.8 1.0 NE C:ARG224 4.4 44.5 1.0 CD1 C:TRP227 4.4 27.3 1.0 CE3 C:TRP227 4.5 28.7 1.0 CA C:GLY233 4.5 30.3 1.0 NE D:ARG177 4.6 24.8 1.0 CG C:ASP232 4.7 28.5 1.0 CE2 C:TRP227 4.7 29.4 1.0 NH1 D:ARG177 4.8 25.4 1.0 NE1 C:TRP227 4.8 28.5 1.0 OD1 C:ASP232 4.9 26.8 1.0

Chlorine binding site 4 out of 5 in the 3-Carboxy-Cis,Cis-Muconate Lactonizing Enzyme From Agrobacterium Radiobacter S2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of 3-Carboxy-Cis,Cis-Muconate Lactonizing Enzyme From Agrobacterium Radiobacter S2 within 5.0Å range: probe atom residue distance (Å) B Occ I:Cl2005 b:24.8 occ:1.00 O I:HOH2025 3.1 16.9 1.0 NH1 I:ARG312 3.4 29.1 1.0 O I:HOH2033 3.8 28.4 1.0 CD J:ARG155 4.1 30.1 1.0 CD I:ARG312 4.2 25.7 1.0 CG J:ARG155 4.2 31.1 1.0 CZ I:ARG312 4.4 28.9 1.0 OG1 J:THR154 4.7 28.6 1.0 NE I:ARG312 4.7 27.3 1.0 CB J:THR154 4.9 29.7 1.0 OG1 I:THR107 4.9 28.6 1.0 OD1 L:ASN281 4.9 31.9 1.0

Chlorine binding site 5 out of 5 in the 3-Carboxy-Cis,Cis-Muconate Lactonizing Enzyme From Agrobacterium Radiobacter S2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of 3-Carboxy-Cis,Cis-Muconate Lactonizing Enzyme From Agrobacterium Radiobacter S2 within 5.0Å range: probe atom residue distance (Å) B Occ J:Cl2001 b:35.4 occ:1.00 NH1 J:ARG312 3.4 30.1 1.0 CG I:ARG155 3.8 27.6 1.0 CD I:ARG155 3.9 27.0 1.0 CB I:THR154 4.2 27.3 1.0 OG1 I:THR154 4.3 27.6 1.0 CD J:ARG312 4.4 30.5 1.0 CZ J:ARG312 4.5 30.6 1.0 O K:HOH420 4.6 19.6 1.0 CB I:ARG155 4.7 27.9 1.0 NE J:ARG312 4.8 30.7 1.0 CG2 I:THR154 4.9 27.0 1.0 O I:THR154 5.0 27.2 1.0

S.Halak, L.Lehtio, T.Basta, S.Burger, M.Contzen, A.Stolz, A.Goldman. Structure and Function of the 3-Carboxy-Cis,Cis-Muconate Lactonizing Enzyme From the Protocatechuate Degradative Pathway of Agrobacterium Radiobacter S2. Febs J. V. 273 5169 2006.
ISSN: ISSN 1742-464X
PubMed: 17054713
DOI: 10.1111/J.1742-4658.2006.05512.X