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Manganese in PDB 2yes: Crystal Structure of RV0371C Complex with Manganese From Mycobacterium Tuberculosis H37RV

Protein crystallography data

The structure of Crystal Structure of RV0371C Complex with Manganese From Mycobacterium Tuberculosis H37RV, PDB code: 2yes was solved by H.J.Cho, B.S.Kang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.01 / 1.90
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 42.220, 59.697, 146.379, 90.00, 90.00, 90.00
R / Rfree (%) 20.346 / 23.533

Manganese Binding Sites:

The binding sites of Manganese atom in the Crystal Structure of RV0371C Complex with Manganese From Mycobacterium Tuberculosis H37RV (pdb code 2yes). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Crystal Structure of RV0371C Complex with Manganese From Mycobacterium Tuberculosis H37RV, PDB code: 2yes:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in 2yes

Go back to Manganese Binding Sites List in 2yes
Manganese binding site 1 out of 2 in the Crystal Structure of RV0371C Complex with Manganese From Mycobacterium Tuberculosis H37RV


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of RV0371C Complex with Manganese From Mycobacterium Tuberculosis H37RV within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn1196

b:37.8
occ:1.00
OD1 A:ASP181 1.9 44.8 1.0
O A:HOH2114 2.1 29.4 1.0
OD2 A:ASP105 2.2 33.2 1.0
O A:HOH2115 2.2 25.9 1.0
OD1 A:ASP183 2.3 38.6 1.0
CG A:ASP181 2.9 43.0 1.0
CG A:ASP183 3.0 41.8 1.0
OD2 A:ASP183 3.0 43.1 1.0
CG A:ASP105 3.2 29.4 1.0
OD2 A:ASP181 3.4 44.3 1.0
OD1 A:ASP105 3.5 29.6 1.0
NZ A:LYS23 3.6 43.0 1.0
O2 A:GOL1197 4.1 62.2 1.0
CB A:ASP181 4.2 42.2 1.0
CB A:ASP183 4.4 41.1 1.0
C2 A:GOL1197 4.5 62.9 1.0
CB A:ASP105 4.5 29.1 1.0
O A:VAL182 4.6 40.1 1.0
C A:ASP181 4.7 42.5 1.0
O3 A:GOL1197 4.7 62.4 1.0
C A:VAL182 4.7 41.1 1.0
C3 A:GOL1197 4.7 62.5 1.0
N A:ASP183 4.8 41.2 1.0
N A:VAL182 4.8 41.4 1.0
O A:HOH2001 4.8 45.9 1.0
CA A:ASP183 4.8 41.7 1.0
CE A:LYS23 4.8 42.6 1.0
CA A:ASP181 4.9 42.3 1.0
O A:HOH2109 4.9 44.1 1.0
O A:ASP181 4.9 43.8 1.0
O A:HOH2117 4.9 38.2 1.0

Manganese binding site 2 out of 2 in 2yes

Go back to Manganese Binding Sites List in 2yes
Manganese binding site 2 out of 2 in the Crystal Structure of RV0371C Complex with Manganese From Mycobacterium Tuberculosis H37RV


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Crystal Structure of RV0371C Complex with Manganese From Mycobacterium Tuberculosis H37RV within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn1195

b:45.1
occ:1.00
OD1 B:ASP181 2.0 44.0 1.0
OD2 B:ASP105 2.1 35.9 1.0
OD1 B:ASP183 2.2 43.4 1.0
O B:HOH2087 2.2 27.4 1.0
O B:HOH2086 2.3 44.1 1.0
CG B:ASP183 3.0 44.6 1.0
CG B:ASP181 3.1 41.9 1.0
CG B:ASP105 3.1 32.9 1.0
OD2 B:ASP183 3.2 44.5 1.0
NZ B:LYS23 3.4 41.8 1.0
OD1 B:ASP105 3.5 32.6 1.0
OD2 B:ASP181 3.5 41.5 1.0
C3 B:GOL1197 4.2 61.8 1.0
CB B:ASP181 4.4 40.8 1.0
CB B:ASP105 4.4 32.7 1.0
CB B:ASP183 4.5 44.9 1.0
O1 B:GOL1196 4.6 58.2 1.0
CE B:LYS23 4.6 41.9 1.0
C B:ASP181 4.7 42.1 1.0
O B:VAL182 4.7 43.8 1.0
O B:ASP181 4.8 43.0 1.0
C B:VAL182 4.8 43.9 1.0
CA B:ASP183 4.8 45.3 1.0
N B:ASP183 4.9 44.4 1.0
CA B:ASP181 4.9 41.0 1.0
N B:VAL182 4.9 42.3 1.0
O3 B:GOL1197 4.9 62.0 1.0

Reference:

H.J.Cho, B.S.Kang. Crystal Structure of RV0371C Complex with Manganese From Mycobacterium Tuberculosis H37RV To Be Published.
Page generated: Sat Oct 5 15:31:14 2024

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