Chlorine in PDB 2fel: 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: 2fel 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)	19.96 / 2.20
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	90.860, 208.510, 123.930, 90.00, 108.35, 90.00
R / Rfree (%)	18.8 / 23.6

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 11;

Binding sites:

The binding sites of Chlorine atom in the 3-Carboxy-Cis,Cis-Muconate Lactonizing Enzyme From Agrobacterium Radiobacter S2 (pdb code 2fel). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 11 binding sites of Chlorine where determined in the 3-Carboxy-Cis,Cis-Muconate Lactonizing Enzyme From Agrobacterium Radiobacter S2, PDB code: 2fel:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 11 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:Cl1507 b:32.9 occ:1.00 O A:HOH1665 3.1 26.6 1.0 O A:HOH1618 3.4 34.0 1.0 CD B:ARG155 3.6 29.6 1.0 NH1 B:ARG155 3.7 30.4 1.0 CB A:SER108 4.0 27.5 1.0 CZ3 A:TRP317 4.0 26.2 1.0 CD A:ARG312 4.1 29.5 1.0 CG1 A:VAL81 4.5 31.5 1.0 NE B:ARG155 4.5 29.5 1.0 OG A:SER108 4.5 26.4 1.0 CZ B:ARG155 4.5 30.6 1.0 CG B:ARG155 4.6 29.9 1.0 CH2 A:TRP317 4.7 26.0 1.0 CG2 A:VAL81 4.7 32.4 1.0 CB A:VAL81 4.7 31.7 1.0 NH1 A:ARG312 4.9 28.9 1.0 NE A:ARG312 5.0 30.0 1.0

Chlorine binding site 2 out of 11 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 B:Cl1504 b:37.1 occ:1.00 O B:HOH1622 2.9 12.8 1.0 O B:HOH1650 3.2 28.5 1.0 O B:HOH1733 3.5 33.2 1.0 CD A:ARG155 3.5 30.1 1.0 NH1 A:ARG155 3.7 29.9 1.0 CZ3 B:TRP317 3.9 30.7 1.0 CG2 B:VAL81 4.0 34.3 1.0 CD B:ARG312 4.0 28.0 1.0 CB B:SER108 4.2 27.2 1.0 CG1 B:VAL81 4.3 32.4 1.0 CH2 B:TRP317 4.4 30.5 1.0 CB B:VAL81 4.4 32.6 1.0 NE A:ARG155 4.5 30.7 1.0 CG A:ARG155 4.5 29.9 1.0 CZ A:ARG155 4.6 31.2 1.0 OG B:SER108 4.7 27.1 1.0 NH1 B:ARG312 4.9 25.9 1.0 NE B:ARG312 5.0 24.4 1.0

Chlorine binding site 3 out of 11 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 D:Cl1503 b:41.7 occ:1.00 O D:HOH1680 3.1 25.3 1.0 O D:HOH1626 3.3 23.3 1.0 CD C:ARG155 3.5 30.4 1.0 NH1 C:ARG155 3.6 30.1 1.0 CB D:SER108 3.9 26.8 1.0 CZ3 D:TRP317 4.0 26.9 1.0 CG2 D:VAL81 4.0 32.0 1.0 CD D:ARG312 4.1 30.2 1.0 CG1 D:VAL81 4.4 31.7 1.0 CH2 D:TRP317 4.4 27.1 1.0 CB D:VAL81 4.4 32.6 1.0 NE C:ARG155 4.5 32.3 1.0 OG D:SER108 4.5 26.2 1.0 CZ C:ARG155 4.5 31.3 1.0 CG C:ARG155 4.6 29.2 1.0 N D:GLN109 5.0 26.3 1.0

Chlorine binding site 4 out of 11 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 D:Cl1508 b:44.0 occ:1.00 O C:HOH1658 3.1 31.5 1.0 O C:HOH1619 3.3 32.6 1.0 NH1 D:ARG155 3.4 33.2 1.0 CD D:ARG155 3.5 32.6 1.0 CB C:SER108 3.9 21.6 1.0 CZ3 C:TRP317 3.9 26.1 1.0 CG1 C:VAL81 4.1 28.5 1.0 CG2 C:VAL81 4.2 27.8 1.0 CD C:ARG312 4.2 26.8 1.0 CZ D:ARG155 4.4 33.5 1.0 NE D:ARG155 4.4 33.3 1.0 CH2 C:TRP317 4.4 25.1 1.0 OG C:SER108 4.6 22.8 1.0 CG D:ARG155 4.6 32.5 1.0 CB C:VAL81 4.7 28.2 1.0 NH1 C:ARG312 4.8 27.4 1.0 CE3 C:TRP317 5.0 26.8 1.0

Chlorine binding site 5 out of 11 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 G:Cl1502 b:38.0 occ:1.00 O F:HOH1621 3.0 22.4 1.0 O F:HOH1679 3.2 21.0 1.0 CD G:ARG155 3.5 28.9 1.0 NH1 G:ARG155 3.8 26.4 1.0 CZ3 F:TRP317 3.9 24.9 1.0 CG2 F:VAL81 4.0 27.3 1.0 CB F:SER108 4.0 26.8 1.0 CD F:ARG312 4.1 19.3 1.0 CH2 F:TRP317 4.3 24.5 1.0 CG1 F:VAL81 4.4 27.8 1.0 OG F:SER108 4.4 28.7 1.0 CB F:VAL81 4.4 29.1 1.0 NE G:ARG155 4.5 29.7 1.0 CG G:ARG155 4.5 29.7 1.0 CZ G:ARG155 4.6 28.2 1.0 NH1 F:ARG312 4.9 12.4 1.0 NE F:ARG312 5.0 14.1 1.0

Chlorine binding site 6 out of 11 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 6 of 3-Carboxy-Cis,Cis-Muconate Lactonizing Enzyme From Agrobacterium Radiobacter S2 within 5.0Å range: probe atom residue distance (Å) B Occ G:Cl1506 b:39.9 occ:1.00 O G:HOH1640 3.1 23.7 1.0 O G:HOH1703 3.4 29.7 1.0 CD F:ARG155 3.5 24.9 1.0 NH1 F:ARG155 3.6 26.7 1.0 CB G:SER108 4.0 27.9 1.0 CZ3 G:TRP317 4.0 26.1 1.0 CD G:ARG312 4.2 28.4 1.0 CG1 G:VAL81 4.4 34.1 1.0 NE F:ARG155 4.5 27.4 1.0 CZ F:ARG155 4.5 27.0 1.0 CB G:VAL81 4.5 34.6 1.0 CH2 G:TRP317 4.5 26.2 1.0 CG F:ARG155 4.6 24.9 1.0 OG G:SER108 4.6 29.4 1.0 CG2 G:VAL81 4.6 35.3 1.0 NH1 G:ARG312 4.9 25.8 1.0 N G:GLN109 5.0 27.4 1.0

Chlorine binding site 7 out of 11 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 7 of 3-Carboxy-Cis,Cis-Muconate Lactonizing Enzyme From Agrobacterium Radiobacter S2 within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl1501 b:34.0 occ:1.00 O E:HOH1664 3.0 22.4 1.0 O E:HOH1702 3.3 17.9 1.0 CD H:ARG155 3.4 31.8 1.0 NH1 H:ARG155 3.6 33.8 1.0 CG1 E:VAL81 3.7 35.7 1.0 CZ3 E:TRP317 3.9 31.0 1.0 CB E:SER108 4.0 30.0 1.0 CG2 E:VAL81 4.0 33.6 1.0 CD E:ARG312 4.2 25.6 1.0 NE H:ARG155 4.4 34.2 1.0 CH2 E:TRP317 4.4 30.9 1.0 CG H:ARG155 4.4 31.8 1.0 CZ H:ARG155 4.5 34.1 1.0 CB E:VAL81 4.5 35.5 1.0 OG E:SER108 4.5 30.3 1.0

Chlorine binding site 8 out of 11 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 8 of 3-Carboxy-Cis,Cis-Muconate Lactonizing Enzyme From Agrobacterium Radiobacter S2 within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl1505 b:38.6 occ:1.00 O H:HOH1612 3.4 18.9 1.0 O H:HOH1651 3.6 26.1 1.0 CD E:ARG155 3.7 33.0 1.0 NH1 E:ARG155 3.7 32.8 1.0 CB H:SER108 3.9 25.3 1.0 CZ3 H:TRP317 4.1 26.4 1.0 CG1 H:VAL81 4.2 31.2 1.0 CD H:ARG312 4.2 28.9 1.0 OG H:SER108 4.5 23.7 1.0 CB H:VAL81 4.5 32.2 1.0 NE E:ARG155 4.5 33.8 1.0 CZ E:ARG155 4.5 33.5 1.0 CG2 H:VAL81 4.6 32.8 1.0 CH2 H:TRP317 4.6 26.9 1.0 CG E:ARG155 4.7 32.1 1.0

Chlorine binding site 9 out of 11 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 9 of 3-Carboxy-Cis,Cis-Muconate Lactonizing Enzyme From Agrobacterium Radiobacter S2 within 5.0Å range: probe atom residue distance (Å) B Occ I:Cl1509 b:35.0 occ:1.00 O J:HOH1630 3.0 19.2 1.0 O J:HOH1613 3.3 19.9 1.0 NH1 I:ARG155 3.4 36.2 1.0 CD I:ARG155 3.5 33.9 1.0 CB J:SER108 3.9 26.6 1.0 CZ3 J:TRP317 4.0 23.9 1.0 CD J:ARG312 4.2 32.1 1.0 CG2 J:VAL81 4.2 27.8 1.0 CZ I:ARG155 4.4 35.8 1.0 OG J:SER108 4.4 28.5 1.0 NE I:ARG155 4.4 35.0 1.0 CB J:VAL81 4.5 28.4 1.0 CG1 J:VAL81 4.6 29.4 1.0 CH2 J:TRP317 4.6 23.7 1.0 CG I:ARG155 4.6 31.2 1.0

Chlorine binding site 10 out of 11 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 10 of 3-Carboxy-Cis,Cis-Muconate Lactonizing Enzyme From Agrobacterium Radiobacter S2 within 5.0Å range: probe atom residue distance (Å) B Occ I:Cl1510 b:52.9 occ:1.00 O I:HOH1637 3.2 26.8 1.0 O I:HOH1620 3.2 37.4 1.0 O I:HOH1673 3.3 36.1 1.0 NH1 J:ARG155 3.6 31.8 1.0 CD J:ARG155 3.6 32.3 1.0 CB I:SER108 3.7 26.8 1.0 CG2 I:VAL81 4.0 31.9 1.0 CZ3 I:TRP317 4.0 30.1 1.0 CD I:ARG312 4.2 27.7 1.0 OG I:SER108 4.3 27.9 1.0 CB I:VAL81 4.4 31.9 1.0 CG1 I:VAL81 4.5 32.2 1.0 CZ J:ARG155 4.5 33.4 1.0 NE J:ARG155 4.5 33.6 1.0 CH2 I:TRP317 4.5 30.0 1.0 CG J:ARG155 4.7 30.3 1.0 N I:GLN109 4.9 27.6 1.0 NE I:ARG312 5.0 27.5 1.0 CA I:SER108 5.0 26.9 1.0 NH1 I:ARG312 5.0 28.6 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