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Uranium in PDB 3qua: Crystal Structure of A Putative Uncharacterized Protein and Possible Molybdenum Cofactor Protein From Mycobacterium Smegmatis

Protein crystallography data

The structure of Crystal Structure of A Putative Uncharacterized Protein and Possible Molybdenum Cofactor Protein From Mycobacterium Smegmatis, PDB code: 3qua was solved by Seattle Structural Genomics Center For Infectious Disease (Ssgcid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 2.10
Space group P 42 21 2
Cell size a, b, c (Å), α, β, γ (°) 123.690, 123.690, 64.590, 90.00, 90.00, 90.00
R / Rfree (%) 16.5 / 21.1

Uranium Binding Sites:

The binding sites of Uranium atom in the Crystal Structure of A Putative Uncharacterized Protein and Possible Molybdenum Cofactor Protein From Mycobacterium Smegmatis (pdb code 3qua). This binding sites where shown within 5.0 Angstroms radius around Uranium atom.
In total 2 binding sites of Uranium where determined in the Crystal Structure of A Putative Uncharacterized Protein and Possible Molybdenum Cofactor Protein From Mycobacterium Smegmatis, PDB code: 3qua:
Jump to Uranium binding site number: 1; 2;

Uranium binding site 1 out of 2 in 3qua

Go back to Uranium Binding Sites List in 3qua
Uranium binding site 1 out of 2 in the Crystal Structure of A Putative Uncharacterized Protein and Possible Molybdenum Cofactor Protein From Mycobacterium Smegmatis


Mono view


Stereo pair view

A full contact list of Uranium with other atoms in the U binding site number 1 of Crystal Structure of A Putative Uncharacterized Protein and Possible Molybdenum Cofactor Protein From Mycobacterium Smegmatis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:U195

b:30.0
occ:1.00
OE2 A:GLU87 3.0 33.6 1.0
NH1 A:ARG105 3.7 14.6 1.0
O A:HOH351 3.7 33.4 1.0
CD A:GLU87 3.9 27.6 1.0
OE1 A:GLU87 3.9 32.3 1.0
O A:HOH345 4.2 32.5 1.0
NH2 A:ARG105 4.3 19.4 1.0
O A:HOH254 4.3 20.5 1.0
CZ A:ARG105 4.4 18.6 1.0
O A:HOH258 4.5 25.5 1.0
CB A:SER26 4.6 17.0 1.0
OG A:SER26 4.6 19.6 1.0
O A:HOH210 4.6 23.4 1.0
OE2 A:GLU128 4.6 22.9 1.0
O A:HOH246 4.7 13.8 1.0
CA A:GLY124 4.8 16.2 1.0
CD1 A:LEU83 4.8 15.1 1.0
SD A:MET61 4.9 29.1 1.0
C A:GLY124 4.9 16.3 1.0

Uranium binding site 2 out of 2 in 3qua

Go back to Uranium Binding Sites List in 3qua
Uranium binding site 2 out of 2 in the Crystal Structure of A Putative Uncharacterized Protein and Possible Molybdenum Cofactor Protein From Mycobacterium Smegmatis


Mono view


Stereo pair view

A full contact list of Uranium with other atoms in the U binding site number 2 of Crystal Structure of A Putative Uncharacterized Protein and Possible Molybdenum Cofactor Protein From Mycobacterium Smegmatis within 5.0Å range:
probe atom residue distance (Å) B Occ
B:U195

b:30.0
occ:1.00
NH1 B:ARG105 2.9 12.8 1.0
OE2 B:GLU87 3.0 22.0 1.0
OE1 B:GLU87 3.4 22.1 1.0
NH2 B:ARG105 3.5 11.5 1.0
CZ B:ARG105 3.6 15.7 1.0
CD B:GLU87 3.6 21.1 1.0
SD B:MET61 4.1 21.0 0.5
CD1 B:LEU83 4.4 13.7 1.0
CE B:MET61 4.4 19.1 0.5
OE2 B:GLU128 4.5 23.7 1.0
O B:HOH199 4.5 14.3 1.0
OG B:SER26 4.5 21.1 1.0
O B:HOH212 4.5 18.9 1.0
CE B:MET61 4.6 16.1 0.5
CB B:SER26 4.6 19.8 1.0
SD B:MET61 4.7 17.8 0.5
NE B:ARG105 4.8 15.4 1.0
O B:HOH249 4.9 15.9 1.0
O B:HOH346 4.9 22.8 1.0

Reference:

L.Baugh, I.Phan, D.W.Begley, M.C.Clifton, B.Armour, D.M.Dranow, B.M.Taylor, M.M.Muruthi, J.Abendroth, J.W.Fairman, D.Fox, S.H.Dieterich, B.L.Staker, A.S.Gardberg, R.Choi, S.N.Hewitt, A.J.Napuli, J.Myers, L.K.Barrett, Y.Zhang, M.Ferrell, E.Mundt, K.Thompkins, N.Tran, S.Lyons-Abbott, A.Abramov, A.Sekar, D.Serbzhinskiy, D.Lorimer, G.W.Buchko, R.Stacy, L.J.Stewart, T.E.Edwards, W.C.Van Voorhis, P.J.Myler. Increasing the Structural Coverage of Tuberculosis Drug Targets. Tuberculosis (Edinb) V. 95 142 2015.
ISSN: ISSN 1472-9792
PubMed: 25613812
DOI: 10.1016/J.TUBE.2014.12.003
Page generated: Thu Oct 29 07:03:54 2020

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