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Chlorine in PDB 2y85: Crystal Structure of Mycobacterium Tuberculosis Phosphoribosyl Isomerase with Bound Rcdrp

Enzymatic activity of Crystal Structure of Mycobacterium Tuberculosis Phosphoribosyl Isomerase with Bound Rcdrp

All present enzymatic activity of Crystal Structure of Mycobacterium Tuberculosis Phosphoribosyl Isomerase with Bound Rcdrp:
5.3.1.16; 5.3.1.24;

Protein crystallography data

The structure of Crystal Structure of Mycobacterium Tuberculosis Phosphoribosyl Isomerase with Bound Rcdrp, PDB code: 2y85 was solved by J.Kuper, A.Geerlof, M.Wilmanns, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 2.40
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 45.980, 121.070, 81.140, 90.00, 95.60, 90.00
R / Rfree (%) 21.281 / 28.726

Other elements in 2y85:

The structure of Crystal Structure of Mycobacterium Tuberculosis Phosphoribosyl Isomerase with Bound Rcdrp also contains other interesting chemical elements:

Sodium (Na) 11 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Mycobacterium Tuberculosis Phosphoribosyl Isomerase with Bound Rcdrp (pdb code 2y85). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Mycobacterium Tuberculosis Phosphoribosyl Isomerase with Bound Rcdrp, PDB code: 2y85:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 2y85

Go back to Chlorine Binding Sites List in 2y85
Chlorine binding site 1 out of 4 in the Crystal Structure of Mycobacterium Tuberculosis Phosphoribosyl Isomerase with Bound Rcdrp


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 Mycobacterium Tuberculosis Phosphoribosyl Isomerase with Bound Rcdrp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1246

b:46.0
occ:1.00
 O A:ASN102 2.6 24.0 1.0
N A:GLY82 2.9 24.9 1.0
N A:ILE84 3.1 27.2 1.0
O A:HOH2034 3.3 19.6 1.0
CB A:ILE84 3.3 27.4 1.0
N A:GLY104 3.3 25.1 1.0
N A:GLY83 3.5 26.1 1.0
C A:GLY82 3.6 26.3 1.0
CA A:GLY82 3.6 25.4 1.0
CA A:ILE84 3.7 28.2 1.0
O A:HOH2012 3.7 20.0 1.0
C A:ASN102 3.8 25.3 1.0
CG1 A:ILE84 3.8 27.8 1.0
CA A:GLY104 3.8 24.5 1.0
OG A:SER81 3.8 23.0 1.0
O A:ILE84 3.9 28.1 1.0
C A:SER81 4.0 25.3 1.0
C A:VAL103 4.1 25.7 1.0
CD1 A:ILE84 4.1 27.3 1.0
CA A:SER81 4.1 24.8 1.0
C A:GLY83 4.1 27.7 1.0
CA A:VAL103 4.2 26.5 1.0
C A:ILE84 4.2 28.6 1.0
O A:GLY82 4.3 27.8 1.0
CA A:GLY83 4.3 27.1 1.0
N A:VAL103 4.4 25.9 1.0
CG2 A:ILE84 4.5 28.7 1.0
CB A:SER81 4.6 23.9 1.0
O71 A:1371247 4.7 27.8 1.0
CA A:ASN102 4.9 25.7 1.0
CB A:ASN102 4.9 25.1 1.0
O A:VAL103 5.0 25.5 1.0

Chlorine binding site 2 out of 4 in 2y85

Go back to Chlorine Binding Sites List in 2y85
Chlorine binding site 2 out of 4 in the Crystal Structure of Mycobacterium Tuberculosis Phosphoribosyl Isomerase with Bound Rcdrp


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 Mycobacterium Tuberculosis Phosphoribosyl Isomerase with Bound Rcdrp within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1246

b:44.4
occ:1.00
 O B:ASN102 2.8 26.8 1.0
O B:HOH2047 2.8 16.0 1.0
N B:GLY82 3.0 20.8 1.0
N B:GLY104 3.1 25.3 1.0
CA B:GLY104 3.4 24.5 1.0
N B:ILE84 3.4 24.9 1.0
OG B:SER81 3.5 21.1 1.0
N B:GLY83 3.6 22.6 1.0
CB B:ILE84 3.7 26.0 1.0
CA B:GLY82 3.7 21.2 1.0
C B:GLY82 3.8 22.2 1.0
C B:VAL103 3.8 26.1 1.0
C B:ASN102 3.9 27.4 1.0
C B:SER81 3.9 20.7 1.0
O B:ILE84 4.0 26.9 1.0
CG1 B:ILE84 4.0 26.0 1.0
CA B:ILE84 4.0 26.3 1.0
CA B:SER81 4.0 20.9 1.0
O72 B:1371247 4.2 26.2 1.0
CA B:VAL103 4.3 27.7 1.0
CD1 B:ILE84 4.3 25.8 1.0
CB B:SER81 4.4 20.1 1.0
C B:ILE84 4.4 27.4 1.0
C B:GLY83 4.5 24.9 1.0
O B:GLY82 4.5 23.6 1.0
O B:VAL103 4.5 25.3 1.0
CA B:GLY83 4.6 23.9 1.0
N B:VAL103 4.6 27.6 1.0
C B:GLY104 4.9 24.9 1.0
CG2 B:ILE84 4.9 27.5 1.0

Chlorine binding site 3 out of 4 in 2y85

Go back to Chlorine Binding Sites List in 2y85
Chlorine binding site 3 out of 4 in the Crystal Structure of Mycobacterium Tuberculosis Phosphoribosyl Isomerase with Bound Rcdrp


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 Mycobacterium Tuberculosis Phosphoribosyl Isomerase with Bound Rcdrp within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1246

b:44.7
occ:1.00
 N C:GLY82 2.7 21.1 1.0
O C:ASN102 2.8 23.5 1.0
CA C:GLY82 3.4 21.6 1.0
N C:GLY104 3.4 25.0 1.0
OG C:SER81 3.5 23.3 1.0
N C:ILE84 3.5 24.2 1.0
N C:GLY83 3.5 22.8 1.0
C C:GLY82 3.6 22.7 1.0
CA C:GLY104 3.7 24.4 1.0
CB C:ILE84 3.8 24.0 1.0
C C:SER81 3.8 21.2 1.0
CD1 C:ILE84 3.9 23.8 1.0
O72 C:1371247 3.9 25.4 1.0
C C:ASN102 3.9 24.4 1.0
CG1 C:ILE84 4.0 23.9 1.0
CA C:SER81 4.0 21.8 1.0
C C:VAL103 4.0 24.8 1.0
CA C:ILE84 4.1 25.1 1.0
CB C:SER81 4.3 21.4 1.0
O C:ILE84 4.4 25.6 1.0
O C:GLY82 4.4 23.5 1.0
CA C:VAL103 4.4 25.8 1.0
C C:GLY83 4.5 25.0 1.0
CA C:GLY83 4.5 24.1 1.0
N C:VAL103 4.6 24.9 1.0
CB C:ASN102 4.7 23.6 1.0
C C:ILE84 4.7 25.9 1.0
O C:VAL103 4.8 23.7 1.0
CA C:ASN102 4.9 24.4 1.0
O C:SER81 4.9 20.3 1.0

Chlorine binding site 4 out of 4 in 2y85

Go back to Chlorine Binding Sites List in 2y85
Chlorine binding site 4 out of 4 in the Crystal Structure of Mycobacterium Tuberculosis Phosphoribosyl Isomerase with Bound Rcdrp


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 Mycobacterium Tuberculosis Phosphoribosyl Isomerase with Bound Rcdrp within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl1246

b:43.5
occ:1.00
 N D:GLY82 2.8 26.1 1.0
O D:ASN102 2.9 30.8 1.0
O D:HOH2050 2.9 23.7 1.0
O D:HOH2015 3.0 17.8 1.0
N D:ILE84 3.3 29.4 1.0
OG D:SER81 3.4 23.2 1.0
N D:GLY83 3.4 26.8 1.0
N D:GLY104 3.4 29.6 1.0
CA D:GLY82 3.5 26.0 1.0
C D:GLY82 3.6 27.0 1.0
CA D:GLY104 3.7 28.4 1.0
CB D:ILE84 3.7 30.8 1.0
O71 D:1371247 3.8 31.4 1.0
C D:SER81 3.9 26.1 1.0
CG1 D:ILE84 4.0 31.0 1.0
CA D:SER81 4.0 25.8 1.0
CA D:ILE84 4.0 30.9 1.0
CD1 D:ILE84 4.1 30.9 1.0
C D:ASN102 4.1 31.1 1.0
C D:VAL103 4.3 30.6 1.0
CB D:SER81 4.3 24.4 1.0
C D:GLY83 4.3 29.5 1.0
O D:ILE84 4.3 31.1 1.0
CA D:GLY83 4.3 28.3 1.0
O D:GLY82 4.5 28.2 1.0
C D:ILE84 4.6 31.4 1.0
CA D:VAL103 4.7 31.8 1.0
ND2 D:ASN102 4.7 34.0 1.0
N D:VAL103 4.9 31.8 1.0
O D:SER81 5.0 26.8 1.0

Reference:

A.V.Due, J.Kuper, A.Geerlof, J.P.Kries, M.Wilmanns. Bisubstrate Specificity in Histidine/Tryptophan Biosynthesis Isomerase From Mycobacterium Tuberculosis By Active Site Metamorphosis. Proc.Natl.Acad.Sci.Usa V. 108 3554 2011.
ISSN: ISSN 0027-8424
PubMed: 21321225
DOI: 10.1073/PNAS.1015996108
Page generated: Sat Jul 20 14:51:51 2024

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