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Chlorine in PDB 4buc: Crystal Structure of Murd Ligase From Thermotoga Maritima in Apo Form

Enzymatic activity of Crystal Structure of Murd Ligase From Thermotoga Maritima in Apo Form

All present enzymatic activity of Crystal Structure of Murd Ligase From Thermotoga Maritima in Apo Form:
6.3.2.9;

Protein crystallography data

The structure of Crystal Structure of Murd Ligase From Thermotoga Maritima in Apo Form, PDB code: 4buc was solved by S.Favini-Stabile, C.Contreras-Martel, N.Thielens, A.Dessen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.78 / 2.17
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 56.168, 135.845, 67.265, 90.00, 98.17, 90.00
R / Rfree (%) 16.324 / 19.681

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Murd Ligase From Thermotoga Maritima in Apo Form (pdb code 4buc). 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 Murd Ligase From Thermotoga Maritima in Apo Form, PDB code: 4buc:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 4buc

Go back to Chlorine Binding Sites List in 4buc
Chlorine binding site 1 out of 6 in the Crystal Structure of Murd Ligase From Thermotoga Maritima in Apo Form


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 Murd Ligase From Thermotoga Maritima in Apo Form within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1400

b:32.5
occ:1.00
 OE1 A:GLU111 2.9 30.3 1.0
O A:HOH2004 3.1 36.3 1.0
N A:ALA161 3.2 22.6 1.0
NE2 A:GLN180 3.2 31.3 1.0
OE2 A:GLU111 3.6 34.1 1.0
CD A:GLU111 3.6 30.6 1.0
O A:HOH2005 3.6 29.7 1.0
CA A:GLY155 3.7 28.0 1.0
CA A:PRO160 3.7 23.8 1.0
CB A:ALA161 3.9 26.6 1.0
C A:PRO160 4.0 24.7 1.0
C A:GLY155 4.0 31.2 1.0
CA A:ALA161 4.2 23.9 1.0
CB A:PRO160 4.3 23.5 1.0
N A:GLY155 4.4 31.5 1.0
O A:GLY155 4.4 34.5 1.0
N A:ASN156 4.4 30.3 1.0
CD A:GLN180 4.4 30.2 1.0
CD1 A:LEU112 4.5 23.4 1.0
O A:THR159 4.8 25.8 1.0
CB A:LEU112 4.9 23.1 1.0
N A:PRO160 5.0 25.1 1.0
CA A:LEU112 5.0 22.2 1.0

Chlorine binding site 2 out of 6 in 4buc

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Chlorine binding site 2 out of 6 in the Crystal Structure of Murd Ligase From Thermotoga Maritima in Apo Form


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 Murd Ligase From Thermotoga Maritima in Apo Form within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1401

b:65.7
occ:1.00
 NZ A:LYS53 3.3 69.9 1.0
OE1 A:GLU51 3.5 49.5 1.0
N A:PHE28 3.5 28.1 1.0
OE2 A:GLU51 3.5 52.4 1.0
CL A:CL1402 3.8 54.3 1.0
CE A:LYS53 3.8 71.5 1.0
N A:GLY29 3.9 28.1 1.0
CD A:GLU51 3.9 44.8 1.0
C A:PHE28 4.1 27.4 1.0
CA A:GLY27 4.2 24.3 1.0
C A:GLY27 4.3 26.5 1.0
CA A:PHE28 4.4 27.6 1.0
N A:NH41501 4.5 34.5 1.0
CA A:GLY29 4.6 28.6 1.0
O A:PHE28 4.6 28.1 1.0

Chlorine binding site 3 out of 6 in 4buc

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Chlorine binding site 3 out of 6 in the Crystal Structure of Murd Ligase From Thermotoga Maritima in Apo Form


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 Murd Ligase From Thermotoga Maritima in Apo Form within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1402

b:54.3
occ:1.00
 O2 A:PO41007 3.1 47.4 1.0
N A:ALA52 3.2 35.7 1.0
OE2 A:GLU51 3.5 52.4 1.0
CA A:GLY27 3.5 24.3 1.0
CB A:ALA52 3.5 38.4 1.0
CE1 A:HIS75 3.6 34.1 1.0
CL A:CL1401 3.8 65.7 1.0
CD A:GLU51 3.8 44.8 1.0
NE2 A:HIS75 3.8 36.5 1.0
OE1 A:GLU51 3.9 49.5 1.0
CA A:ALA52 3.9 38.1 1.0
CA A:GLU51 4.0 32.9 1.0
C A:GLU51 4.1 35.0 1.0
N A:GLY27 4.1 26.8 1.0
O A:SER50 4.4 28.6 1.0
P A:PO41007 4.5 52.9 1.0
CD1 A:ILE91 4.6 36.5 1.0
C A:GLY27 4.7 26.5 1.0
CG A:GLU51 4.7 44.3 1.0
N A:PHE28 4.8 28.1 1.0
N A:LYS53 4.8 42.7 1.0
CB A:GLU51 4.9 38.0 1.0
ND1 A:HIS75 4.9 34.6 1.0
C A:ALA52 4.9 42.2 1.0

Chlorine binding site 4 out of 6 in 4buc

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Chlorine binding site 4 out of 6 in the Crystal Structure of Murd Ligase From Thermotoga Maritima in Apo Form


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 Murd Ligase From Thermotoga Maritima in Apo Form within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1400

b:33.1
occ:1.00
 OE1 B:GLU111 2.9 28.9 1.0
N B:ALA161 3.1 23.4 1.0
NE2 B:GLN180 3.3 30.9 1.0
OE2 B:GLU111 3.6 30.2 1.0
CD B:GLU111 3.6 32.5 1.0
CA B:GLY155 3.7 29.6 1.0
CA B:PRO160 3.7 26.9 1.0
O B:HOH2004 3.8 33.0 1.0
CB B:ALA161 3.8 29.4 1.0
C B:PRO160 3.9 25.9 1.0
C B:GLY155 4.0 30.5 1.0
CA B:ALA161 4.1 25.4 1.0
CB B:PRO160 4.3 26.9 1.0
N B:GLY155 4.3 31.4 1.0
O B:GLY155 4.4 33.7 1.0
N B:ASN156 4.5 34.3 1.0
CD B:GLN180 4.5 31.6 1.0
CD1 B:LEU112 4.6 26.2 1.0
O B:THR159 4.7 28.4 1.0
N B:PRO160 4.9 26.1 1.0
CB B:LEU112 5.0 22.8 1.0

Chlorine binding site 5 out of 6 in 4buc

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Chlorine binding site 5 out of 6 in the Crystal Structure of Murd Ligase From Thermotoga Maritima in Apo Form


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 Murd Ligase From Thermotoga Maritima in Apo Form within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1401

b:63.6
occ:1.00
 OE1 B:GLU51 3.3 47.6 1.0
OE2 B:GLU51 3.6 52.4 1.0
N B:PHE28 3.6 32.5 1.0
N B:GLY29 3.8 27.8 1.0
CD B:GLU51 3.9 43.9 1.0
C B:PHE28 4.0 28.5 1.0
CL B:CL1402 4.0 55.0 1.0
CA B:GLY27 4.3 31.7 1.0
CA B:PHE28 4.4 29.7 1.0
O B:PHE28 4.4 33.4 1.0
CA B:GLY29 4.4 29.1 1.0
C B:GLY27 4.5 31.7 1.0
N B:NH41501 4.7 38.8 1.0

Chlorine binding site 6 out of 6 in 4buc

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Chlorine binding site 6 out of 6 in the Crystal Structure of Murd Ligase From Thermotoga Maritima in Apo Form


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 Murd Ligase From Thermotoga Maritima in Apo Form within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1402

b:55.0
occ:1.00
 O2 B:PO41007 2.9 47.4 1.0
N B:ALA52 3.1 35.0 1.0
CB B:ALA52 3.5 40.9 1.0
CA B:GLY27 3.5 31.7 1.0
OE2 B:GLU51 3.6 52.4 1.0
CE1 B:HIS75 3.6 33.6 1.0
NE2 B:HIS75 3.8 38.0 1.0
CD B:GLU51 3.8 43.9 1.0
OE1 B:GLU51 3.9 47.6 1.0
CA B:ALA52 3.9 40.5 1.0
CL B:CL1401 4.0 63.6 1.0
CA B:GLU51 4.1 34.7 1.0
C B:GLU51 4.1 35.4 1.0
N B:GLY27 4.1 28.3 1.0
P B:PO41007 4.4 57.4 1.0
O B:SER50 4.4 32.8 1.0
CD1 B:ILE91 4.6 38.8 1.0
C B:GLY27 4.8 31.7 1.0
CG B:GLU51 4.8 43.2 1.0
N B:LYS53 4.8 45.8 1.0
N B:PHE28 4.9 32.5 1.0
ND1 B:HIS75 4.9 34.7 1.0
CB B:GLU51 4.9 38.4 1.0
O4 B:PO41007 4.9 56.2 1.0
C B:ALA52 4.9 43.6 1.0
O3 B:PO41007 4.9 53.0 1.0

Reference:

S.Favini-Stabile, C.Contreras-Martel, N.Thielens, A.Dessen. Mreb and Murg As Scaffolds For the Cytoplasmic Steps of Peptidoglycan Biosynthesis Environ.Microbiol. V. 15 3218 2013.
ISSN: ISSN 1462-2912
PubMed: 23826965
DOI: 10.1111/1462-2920.12171
Page generated: Sat Dec 12 10:27:36 2020

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