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Chlorine in PDB 2yiz: X-Ray Structure of Mycobacterium Tuberculosis Dodecin

Protein crystallography data

The structure of X-Ray Structure of Mycobacterium Tuberculosis Dodecin, PDB code: 2yiz was solved by X.Vinzenz, W.Grosse, U.Linne, B.Meissner, L.-O.Essen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 14.91 / 1.70
Space group H 3 2
Cell size a, b, c (Å), α, β, γ (°) 94.302, 94.302, 230.907, 90.00, 90.00, 120.00
R / Rfree (%) 17.2 / 19.7

Chlorine Binding Sites:

The binding sites of Chlorine atom in the X-Ray Structure of Mycobacterium Tuberculosis Dodecin (pdb code 2yiz). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the X-Ray Structure of Mycobacterium Tuberculosis Dodecin, PDB code: 2yiz:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 2yiz

Go back to Chlorine Binding Sites List in 2yiz
Chlorine binding site 1 out of 2 in the X-Ray Structure of Mycobacterium Tuberculosis Dodecin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Structure of Mycobacterium Tuberculosis Dodecin within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1073

b:21.5
occ:0.33
O B:HOH2011 3.2 30.0 1.0
NH2 B:ARG6 3.4 35.1 1.0
CG2 B:ILE8 3.9 28.3 1.0
C3 B:GOL1072 4.1 45.3 0.3
C1 B:GOL1072 4.2 45.4 0.3
CB B:ILE8 4.3 27.2 1.0
CA B:ILE8 4.4 25.9 1.0
CZ B:ARG6 4.4 37.3 1.0
O2 B:GOL1072 4.4 46.4 0.3
C2 B:GOL1072 4.5 46.0 0.3
NE B:ARG6 4.5 36.2 1.0
O B:VAL7 4.7 27.2 1.0

Chlorine binding site 2 out of 2 in 2yiz

Go back to Chlorine Binding Sites List in 2yiz
Chlorine binding site 2 out of 2 in the X-Ray Structure of Mycobacterium Tuberculosis Dodecin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of X-Ray Structure of Mycobacterium Tuberculosis Dodecin within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1072

b:27.6
occ:1.00
O A:HOH2013 3.1 30.0 1.0
O C:HOH2009 3.1 28.9 1.0
NH2 C:ARG6 3.3 35.9 1.0
NH2 A:ARG6 3.3 34.6 1.0
O2 A:GOL1071 4.1 40.6 0.3
C1 A:GOL1071 4.1 42.4 0.3
C1 A:GOL1071 4.2 39.2 0.3
C3 A:GOL1071 4.2 48.8 0.3
C3 A:GOL1071 4.2 39.3 0.3
O2 A:GOL1071 4.2 49.4 0.3
C1 A:GOL1071 4.2 48.5 0.3
C3 A:GOL1071 4.2 41.8 0.3
CG2 A:ILE8 4.3 28.0 1.0
CG2 C:ILE8 4.3 28.9 1.0
CZ C:ARG6 4.3 38.0 1.0
CZ A:ARG6 4.3 36.6 1.0
C2 A:GOL1071 4.4 40.3 0.3
NE C:ARG6 4.4 36.7 1.0
NE A:ARG6 4.4 35.7 1.0
C2 A:GOL1071 4.5 49.3 0.3
O2 A:GOL1071 4.5 43.6 0.3
C2 A:GOL1071 4.5 43.2 0.3
CB A:ILE8 4.7 27.1 1.0
CB C:ILE8 4.7 27.5 1.0
CA A:ILE8 4.7 25.8 1.0
CA C:ILE8 4.8 26.1 1.0
O C:VAL7 4.8 27.5 1.0
O A:VAL7 4.8 27.1 1.0

Reference:

X.Vinzenz, W.Grosse, U.Linne, B.Meissner, L.-O.Essen. Chemical Engineering of Mycobacterium Tuberculosis Dodecin Hybrids. Chem.Commun.(Camb.) V. 47 11071 2011.
ISSN: ISSN 1359-7345
PubMed: 21897938
DOI: 10.1039/C1CC12929E
Page generated: Sat Jul 20 15:05:56 2024

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