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Chlorine in PDB 4utt: Structural Characterisation of Nane, MANNAC6P C2 Epimerase, From Clostridium Perfingens

Enzymatic activity of Structural Characterisation of Nane, MANNAC6P C2 Epimerase, From Clostridium Perfingens

All present enzymatic activity of Structural Characterisation of Nane, MANNAC6P C2 Epimerase, From Clostridium Perfingens:
5.1.3.9;

Protein crystallography data

The structure of Structural Characterisation of Nane, MANNAC6P C2 Epimerase, From Clostridium Perfingens, PDB code: 4utt was solved by M.C.Pelissier, C.Sebban-Kreuzer, F.Guerlesquin, J.A.Brannigan, G.J.Davies, Y.Bourne, F.Vincent, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 82.20 / 1.71
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 36.989, 75.501, 82.234, 90.22, 90.01, 92.83
R / Rfree (%) 15.052 / 18.547

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structural Characterisation of Nane, MANNAC6P C2 Epimerase, From Clostridium Perfingens (pdb code 4utt). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Structural Characterisation of Nane, MANNAC6P C2 Epimerase, From Clostridium Perfingens, PDB code: 4utt:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 4utt

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Chlorine binding site 1 out of 8 in the Structural Characterisation of Nane, MANNAC6P C2 Epimerase, From Clostridium Perfingens


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structural Characterisation of Nane, MANNAC6P C2 Epimerase, From Clostridium Perfingens within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1221

b:23.8
occ:1.00
 O A:HOH2056 2.9 30.9 1.0
NH2 A:ARG43 3.1 15.3 1.0
NE2 A:GLN14 3.2 19.3 1.0
NZ A:LYS66 3.2 17.0 1.0
O A:HOH2263 3.4 26.2 1.0
NE A:ARG43 3.5 15.1 1.0
CE A:LYS66 3.6 15.8 1.0
CZ A:ARG43 3.7 15.6 1.0
CD1 A:ILE64 3.7 15.2 1.0
O A:HOH2060 3.9 23.1 1.0
OE1 A:GLN14 4.0 17.4 1.0
CD A:GLN14 4.0 17.0 1.0
OE2 A:GLU180 4.1 23.2 1.0
CG2 A:THR147 4.1 14.5 1.0
CD1 A:ILE76 4.3 16.1 1.0
O A:ACT1223 4.4 34.0 1.0
C A:ACT1223 4.5 25.2 1.0
OXT A:ACT1223 4.6 32.8 1.0
CD A:ARG43 4.7 15.8 1.0
CH3 A:ACT1223 4.9 31.4 1.0
NH1 A:ARG43 4.9 16.9 1.0

Chlorine binding site 2 out of 8 in 4utt

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Chlorine binding site 2 out of 8 in the Structural Characterisation of Nane, MANNAC6P C2 Epimerase, From Clostridium Perfingens


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structural Characterisation of Nane, MANNAC6P C2 Epimerase, From Clostridium Perfingens within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1222

b:16.6
occ:1.00
 O A:HOH2073 3.0 13.0 1.0
O A:HOH2074 3.0 14.2 1.0
N A:GLN210 3.1 12.5 1.0
N A:PRO209 3.4 13.5 1.0
C A:ARG208 3.4 12.3 1.0
CA A:ARG208 3.5 13.0 1.0
CB A:GLN210 3.5 13.7 1.0
CD A:PRO209 3.5 12.4 1.0
CB A:ARG208 3.8 12.1 1.0
CA A:GLN210 3.8 13.3 1.0
CG A:PRO209 3.9 14.7 1.0
CG A:PRO20 3.9 19.4 1.0
CB D:ALA33 3.9 14.9 1.0
CD A:PRO20 4.1 17.4 1.0
C A:PRO209 4.1 13.5 1.0
O A:ARG208 4.1 13.9 1.0
CA A:PRO209 4.3 13.2 1.0
CG A:ARG208 4.3 13.7 1.0
O A:HOH2059 4.4 12.9 1.0
N A:GLN211 4.6 14.9 1.0
OE1 A:GLU19 4.7 17.4 1.0
OE1 A:GLN210 4.7 16.2 1.0
CB A:PRO209 4.7 14.8 1.0
CG A:LEU21 4.7 15.7 1.0
O A:THR207 4.8 12.5 1.0
N A:ARG208 4.8 12.4 1.0
C A:GLN210 4.8 12.6 1.0
CG A:GLN210 4.9 15.6 1.0
CD1 A:LEU21 4.9 13.9 1.0
CA D:ALA33 5.0 14.1 1.0

Chlorine binding site 3 out of 8 in 4utt

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Chlorine binding site 3 out of 8 in the Structural Characterisation of Nane, MANNAC6P C2 Epimerase, From Clostridium Perfingens


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structural Characterisation of Nane, MANNAC6P C2 Epimerase, From Clostridium Perfingens within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1221

b:23.3
occ:1.00
 O B:HOH2045 2.8 32.0 1.0
NH2 B:ARG43 3.2 15.5 1.0
NE2 B:GLN14 3.2 18.7 1.0
NZ B:LYS66 3.2 15.4 1.0
O B:HOH2238 3.4 26.4 1.0
NE B:ARG43 3.5 15.6 1.0
CE B:LYS66 3.6 14.2 1.0
CD1 B:ILE64 3.7 15.2 1.0
CZ B:ARG43 3.7 15.0 1.0
O B:HOH2049 3.9 25.8 1.0
OE2 B:GLU180 4.0 13.8 0.5
OE1 B:GLN14 4.0 16.4 1.0
CD B:GLN14 4.0 16.3 1.0
CG2 B:THR147 4.1 14.8 1.0
OE2 B:GLU180 4.1 19.3 0.5
CH3 B:ACT1223 4.1 28.2 1.0
C B:ACT1223 4.2 26.2 1.0
CD1 B:ILE76 4.3 18.5 1.0
OXT B:ACT1223 4.4 28.5 1.0
O B:ACT1223 4.7 21.1 1.0
CD B:ARG43 4.7 15.9 1.0
CD B:GLU180 4.9 17.7 0.5
NH1 B:ARG43 4.9 16.0 1.0

Chlorine binding site 4 out of 8 in 4utt

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Chlorine binding site 4 out of 8 in the Structural Characterisation of Nane, MANNAC6P C2 Epimerase, From Clostridium Perfingens


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structural Characterisation of Nane, MANNAC6P C2 Epimerase, From Clostridium Perfingens within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1222

b:17.0
occ:1.00
 O B:HOH2065 3.0 14.1 1.0
O B:HOH2063 3.0 12.3 1.0
N B:GLN210 3.1 14.0 1.0
N B:PRO209 3.4 13.3 1.0
CA B:ARG208 3.5 12.6 1.0
C B:ARG208 3.5 12.4 1.0
CB B:GLN210 3.5 15.2 1.0
CD B:PRO209 3.5 12.5 1.0
CB B:ARG208 3.8 11.7 1.0
CA B:GLN210 3.9 14.8 1.0
CG B:PRO209 3.9 15.2 1.0
CG B:PRO20 4.0 20.4 1.0
CD B:PRO20 4.0 17.6 1.0
O B:ARG208 4.1 13.3 1.0
C B:PRO209 4.1 14.6 1.0
CG B:ARG208 4.2 13.5 1.0
CA B:PRO209 4.3 13.6 1.0
O B:HOH2048 4.3 12.5 1.0
N B:GLN211 4.6 16.0 1.0
CG B:LEU21 4.7 14.9 1.0
OE1 B:GLU19 4.7 17.2 1.0
CB B:PRO209 4.7 14.6 1.0
OE1 B:GLN210 4.7 15.4 1.0
O B:THR207 4.8 12.6 1.0
N B:ARG208 4.8 12.9 1.0
C B:GLN210 4.9 14.8 1.0
CG B:GLN210 4.9 15.2 1.0
CD1 B:LEU21 4.9 14.0 1.0

Chlorine binding site 5 out of 8 in 4utt

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Chlorine binding site 5 out of 8 in the Structural Characterisation of Nane, MANNAC6P C2 Epimerase, From Clostridium Perfingens


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Structural Characterisation of Nane, MANNAC6P C2 Epimerase, From Clostridium Perfingens within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1221

b:27.0
occ:1.00
 O C:HOH2052 2.7 44.4 1.0
NE2 C:GLN14 3.2 22.3 1.0
NH2 C:ARG43 3.2 17.9 1.0
NZ C:LYS66 3.3 21.4 1.0
NE C:ARG43 3.5 18.0 1.0
CE C:LYS66 3.5 17.7 1.0
O C:HOH2223 3.6 29.3 1.0
CD1 C:ILE64 3.7 16.9 1.0
CZ C:ARG43 3.7 18.8 1.0
O C:HOH2056 3.9 24.7 1.0
OE1 C:GLN14 4.0 17.4 1.0
CD C:GLN14 4.0 18.8 1.0
CH3 C:ACT1223 4.1 28.7 1.0
OE2 C:GLU180 4.1 19.6 1.0
C C:ACT1223 4.3 27.0 1.0
CG2 C:THR147 4.3 17.3 1.0
CD1 C:ILE76 4.4 19.7 1.0
O C:ACT1223 4.6 31.2 1.0
CD C:ARG43 4.7 17.6 1.0
OXT C:ACT1223 4.7 24.3 1.0
NH1 C:ARG43 5.0 20.3 1.0
CD C:LYS66 5.0 18.3 1.0

Chlorine binding site 6 out of 8 in 4utt

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Chlorine binding site 6 out of 8 in the Structural Characterisation of Nane, MANNAC6P C2 Epimerase, From Clostridium Perfingens


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Structural Characterisation of Nane, MANNAC6P C2 Epimerase, From Clostridium Perfingens within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1222

b:15.8
occ:1.00
 O C:HOH2069 3.0 12.3 1.0
O C:HOH2068 3.1 13.6 1.0
N C:GLN210 3.1 13.8 1.0
CA C:ARG208 3.4 15.1 1.0
N C:PRO209 3.4 13.8 1.0
C C:ARG208 3.5 14.7 1.0
CB C:GLN210 3.5 13.9 1.0
CD C:PRO209 3.5 14.0 1.0
CB C:ARG208 3.7 14.8 1.0
CG C:PRO209 3.8 14.9 1.0
CG C:PRO20 3.8 16.9 1.0
CA C:GLN210 3.9 14.0 1.0
CD C:PRO20 4.0 15.9 1.0
CG C:ARG208 4.1 16.8 1.0
O C:ARG208 4.1 14.9 1.0
C C:PRO209 4.2 14.0 1.0
CA C:PRO209 4.3 13.6 1.0
O C:HOH2055 4.5 13.7 1.0
N C:GLN211 4.7 15.3 1.0
CB C:PRO209 4.7 13.6 1.0
OE1 C:GLU19 4.7 17.4 1.0
O C:THR207 4.7 13.4 1.0
OE1 C:GLN210 4.8 17.8 1.0
CB C:PRO20 4.8 17.1 1.0
N C:ARG208 4.8 14.0 1.0
CG C:LEU21 4.8 16.2 1.0
CG C:GLN210 4.9 15.3 1.0
N C:PRO20 4.9 15.8 1.0
C C:GLN210 4.9 15.2 1.0

Chlorine binding site 7 out of 8 in 4utt

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Chlorine binding site 7 out of 8 in the Structural Characterisation of Nane, MANNAC6P C2 Epimerase, From Clostridium Perfingens


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Structural Characterisation of Nane, MANNAC6P C2 Epimerase, From Clostridium Perfingens within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl1221

b:26.5
occ:1.00
 NE2 D:GLN14 3.2 22.6 1.0
NH2 D:ARG43 3.2 18.8 1.0
NZ D:LYS66 3.3 21.7 1.0
NE D:ARG43 3.4 19.4 1.0
CE D:LYS66 3.5 19.2 1.0
O D:HOH2212 3.6 26.9 1.0
CD1 D:ILE64 3.7 16.2 1.0
CZ D:ARG43 3.7 19.7 1.0
O D:HOH2115 3.9 26.0 1.0
OE1 D:GLN14 4.0 17.1 1.0
CD D:GLN14 4.0 17.8 1.0
OE2 D:GLU180 4.1 21.0 1.0
OXT D:ACT1223 4.3 31.7 1.0
CD1 D:ILE76 4.4 17.1 1.0
CG2 D:THR147 4.4 16.6 1.0
CD D:ARG43 4.6 18.7 1.0
C D:ACT1223 4.7 25.9 1.0
NH1 D:ARG43 4.9 19.2 1.0
O D:ACT1223 5.0 32.4 1.0

Chlorine binding site 8 out of 8 in 4utt

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Chlorine binding site 8 out of 8 in the Structural Characterisation of Nane, MANNAC6P C2 Epimerase, From Clostridium Perfingens


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Structural Characterisation of Nane, MANNAC6P C2 Epimerase, From Clostridium Perfingens within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl1222

b:16.3
occ:1.00
 O D:HOH2061 3.0 14.3 1.0
O D:HOH2060 3.1 13.3 1.0
N D:GLN210 3.2 13.0 1.0
N D:PRO209 3.4 13.6 1.0
CA D:ARG208 3.4 13.4 1.0
C D:ARG208 3.4 14.2 1.0
CD D:PRO209 3.5 14.7 1.0
CB D:GLN210 3.5 13.6 1.0
CB D:ARG208 3.8 15.4 1.0
CG D:PRO20 3.8 17.3 1.0
CG D:PRO209 3.8 14.4 1.0
CD D:PRO20 3.9 15.2 1.0
CA D:GLN210 3.9 13.3 1.0
CB A:ALA33 4.1 12.4 1.0
O D:ARG208 4.1 13.7 1.0
C D:PRO209 4.1 13.2 1.0
CA D:PRO209 4.2 13.0 1.0
CG D:ARG208 4.2 15.6 1.0
O D:HOH2047 4.4 12.8 1.0
N D:GLN211 4.7 15.0 1.0
CB D:PRO209 4.7 13.8 1.0
O D:THR207 4.7 13.2 1.0
CG D:LEU21 4.7 14.5 1.0
OE1 D:GLU19 4.7 15.4 1.0
N D:ARG208 4.8 13.0 1.0
CB D:PRO20 4.8 16.8 1.0
OE1 D:GLN210 4.8 16.9 1.0
N D:PRO20 4.9 15.8 1.0
CG D:GLN210 4.9 14.1 1.0
C D:GLN210 4.9 13.9 1.0

Reference:

M.Pelissier, C.Sebban-Kreuzer, F.Guerlesquin, J.A.Brannigan, Y.Bourne, F.Vincent. Structural and Functional Characterization of the Clostridium Perfringens N-Acetylmannosamine-6-Phosphate 2- Epimerase Essential For the Sialic Acid Salvage Pathway. J.Biol.Chem. 2014.
ISSN: ESSN 1083-351X
PubMed: 25320079
DOI: 10.1074/JBC.M114.604272
Page generated: Fri Jul 26 02:29:41 2024

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