Manganese in PDB 3ke6: The Crystal Structure of the Rsbu and Rsbw Domains of RV1364C From Mycobacterium Tuberculosis

The structure of The Crystal Structure of the Rsbu and Rsbw Domains of RV1364C From Mycobacterium Tuberculosis, PDB code: 3ke6 was solved by J.King-Scott, S.Panjikar, P.A.Tucker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.63 / 2.60
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	100.118, 100.118, 169.653, 90.00, 90.00, 90.00
R / Rfree (%)	20.8 / 26.7

The binding sites of Manganese atom in the The Crystal Structure of the Rsbu and Rsbw Domains of RV1364C From Mycobacterium Tuberculosis (pdb code 3ke6). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 4 binding sites of Manganese where determined in the The Crystal Structure of the Rsbu and Rsbw Domains of RV1364C From Mycobacterium Tuberculosis, PDB code: 3ke6:
Jump to Manganese binding site number: 1; 2; 3; 4;

Manganese binding site 1 out of 4 in the The Crystal Structure of the Rsbu and Rsbw Domains of RV1364C From Mycobacterium Tuberculosis


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of The Crystal Structure of the Rsbu and Rsbw Domains of RV1364C From Mycobacterium Tuberculosis within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn541 b:69.3 occ:1.00 O A:VAL212 2.2 64.2 1.0 OD1 A:ASP211 2.2 58.8 1.0 O A:HOH100 2.2 67.6 1.0 O A:HOH97 2.2 70.8 1.0 O A:HOH98 2.2 70.4 1.0 CG A:ASP211 3.1 57.1 1.0 C A:VAL212 3.1 61.8 1.0 OD2 A:ASP211 3.4 62.3 1.0 MN A:MN2 3.5 73.7 1.0 CA A:VAL213 3.8 63.3 1.0 N A:VAL213 3.8 62.7 1.0 N A:VAL212 3.9 59.3 1.0 N A:GLY214 3.9 65.0 1.0 C A:VAL213 4.1 64.2 1.0 CA A:VAL212 4.2 60.4 1.0 O A:HOH99 4.2 73.1 1.0 C A:ASP211 4.3 58.5 1.0 O A:HOH96 4.3 72.8 1.0 OD1 A:ASP387 4.4 55.8 1.0 CB A:ASP211 4.4 57.0 1.0 OD2 A:ASP387 4.5 57.2 1.0 CA A:ASP211 4.6 58.0 1.0 OD1 A:ASP194 4.7 58.1 1.0 CA A:GLY193 4.7 53.5 1.0 OD2 A:ASP388 4.9 59.6 1.0 O A:GLY193 4.9 53.3 1.0 O A:ASP211 4.9 58.3 1.0 C A:GLY193 4.9 53.2 1.0 N A:HIS215 4.9 67.0 1.0 CG A:ASP387 4.9 54.8 1.0 O A:VAL213 5.0 64.2 1.0

Manganese binding site 2 out of 4 in the The Crystal Structure of the Rsbu and Rsbw Domains of RV1364C From Mycobacterium Tuberculosis


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of The Crystal Structure of the Rsbu and Rsbw Domains of RV1364C From Mycobacterium Tuberculosis within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn2 b:73.7 occ:1.00 OD2 A:ASP387 1.9 57.2 1.0 OD2 A:ASP211 1.9 62.3 1.0 O A:HOH99 2.2 73.1 1.0 O A:HOH97 2.2 70.8 1.0 O A:HOH96 2.2 72.8 1.0 OD1 A:ASP328 2.2 61.2 1.0 CG A:ASP328 3.0 53.1 1.0 CG A:ASP211 3.0 57.1 1.0 OD2 A:ASP328 3.0 55.6 1.0 CG A:ASP387 3.1 54.8 1.0 OD1 A:ASP211 3.4 58.8 1.0 MN A:MN541 3.5 69.3 1.0 OD1 A:ASP387 3.5 55.8 1.0 O A:HOH98 3.9 70.4 1.0 CB A:ASP387 4.3 53.9 1.0 CB A:ASP211 4.4 57.0 1.0 CB A:ASP328 4.5 51.0 1.0 N A:GLY329 4.6 50.9 1.0 OD1 A:ASP194 4.7 58.1 1.0 N A:ASP328 4.9 51.0 1.0 O A:ASP388 4.9 51.1 1.0

Manganese binding site 3 out of 4 in the The Crystal Structure of the Rsbu and Rsbw Domains of RV1364C From Mycobacterium Tuberculosis


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of The Crystal Structure of the Rsbu and Rsbw Domains of RV1364C From Mycobacterium Tuberculosis within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn3 b:67.8 occ:1.00 OD1 B:ASP211 2.2 61.4 1.0 O B:VAL212 2.2 63.0 1.0 O B:HOH33 2.2 69.4 1.0 O B:HOH32 2.2 68.1 1.0 O B:HOH34 2.2 68.2 1.0 O B:HOH31 2.2 67.3 1.0 CG B:ASP211 3.3 57.3 1.0 C B:VAL212 3.3 60.7 1.0 N B:VAL212 3.8 58.7 1.0 OD2 B:ASP211 3.8 63.1 1.0 MN B:MN4 3.8 72.8 1.0 N B:GLY214 4.0 62.4 1.0 CA B:VAL212 4.2 59.6 1.0 N B:VAL213 4.2 60.9 1.0 CA B:VAL213 4.3 61.3 1.0 C B:ASP211 4.4 57.9 1.0 CA B:GLY193 4.4 55.1 1.0 C B:VAL213 4.4 61.8 1.0 OD1 B:ASP387 4.4 51.7 1.0 CB B:ASP211 4.5 57.4 1.0 C B:GLY193 4.6 54.2 1.0 CA B:ASP211 4.7 57.6 1.0 O B:GLY193 4.7 53.8 1.0 OD2 B:ASP388 4.7 58.4 1.0 O B:HOH35 4.7 71.3 1.0 O B:GLY214 4.8 64.3 1.0 OD2 B:ASP387 4.8 57.9 1.0 CA B:GLY214 4.9 62.6 1.0

Manganese binding site 4 out of 4 in the The Crystal Structure of the Rsbu and Rsbw Domains of RV1364C From Mycobacterium Tuberculosis


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of The Crystal Structure of the Rsbu and Rsbw Domains of RV1364C From Mycobacterium Tuberculosis within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn4 b:72.8 occ:1.00 OD2 B:ASP387 1.9 57.9 1.0 OD2 B:ASP211 1.9 63.1 1.0 O B:HOH33 2.2 69.4 1.0 OD1 B:ASP328 2.2 57.2 1.0 O B:HOH35 2.2 71.3 1.0 CG B:ASP211 3.0 57.3 1.0 CG B:ASP387 3.0 53.3 1.0 OD1 B:ASP211 3.3 61.4 1.0 CG B:ASP328 3.3 53.5 1.0 OD1 B:ASP387 3.4 51.7 1.0 O B:HOH34 3.6 68.2 1.0 MN B:MN3 3.8 67.8 1.0 OD2 B:ASP328 3.9 56.7 1.0 CB B:ASP387 4.3 53.2 1.0 CB B:ASP211 4.4 57.4 1.0 N B:GLY329 4.5 51.2 1.0 CB B:ASP328 4.6 51.2 1.0 O B:ASP388 4.6 52.1 1.0 N B:ASP328 4.7 51.2 1.0 O B:HOH32 4.8 68.1 1.0 OD2 B:ASP194 4.9 55.2 1.0

J.King-Scott, S.Panjikar, P.A.Tucker. The Crystal Structure of the Rsbu and Rsbw Domains of RV1364C From Mycobacterium Tuberculosis To Be Published.