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Bromine in PDB 6drq: The Crystal Structure of Sats C-Terminal Domain in Complex with Bromine

Protein crystallography data

The structure of The Crystal Structure of Sats C-Terminal Domain in Complex with Bromine, PDB code: 6drq was solved by R.C.Hughes, J.C.Sacchettini, Tb Structural Genomics Consortium (Tbsgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 42.13 / 2.30
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 48.796, 50.596, 76.075, 90.00, 90.00, 90.00
R / Rfree (%) 21 / 29.7

Bromine Binding Sites:

The binding sites of Bromine atom in the The Crystal Structure of Sats C-Terminal Domain in Complex with Bromine (pdb code 6drq). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 3 binding sites of Bromine where determined in the The Crystal Structure of Sats C-Terminal Domain in Complex with Bromine, PDB code: 6drq:
Jump to Bromine binding site number: 1; 2; 3;

Bromine binding site 1 out of 3 in 6drq

Go back to Bromine Binding Sites List in 6drq
Bromine binding site 1 out of 3 in the The Crystal Structure of Sats C-Terminal Domain in Complex with Bromine


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of The Crystal Structure of Sats C-Terminal Domain in Complex with Bromine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br501

b:42.2
occ:1.00
O A:HOH612 2.5 30.6 1.0
CB A:PRO395 3.4 54.1 1.0
O A:PRO378 3.6 37.2 1.0
CB A:LEU382 3.9 33.3 1.0
CD2 A:TYR399 4.1 40.8 1.0
CG A:PRO395 4.1 49.3 1.0
CD1 A:LEU382 4.2 29.8 1.0
CG A:LEU382 4.3 34.1 1.0
C A:PRO378 4.4 38.0 1.0
N A:LEU382 4.4 37.6 1.0
CA A:LEU382 4.5 34.1 1.0
CA A:PRO378 4.5 36.9 1.0
CE2 A:TYR399 4.6 41.5 1.0
CB A:ALA402 4.6 38.0 1.0
CD A:GLN381 4.6 51.3 1.0
CA A:PRO395 4.6 57.5 1.0
CG A:GLN381 4.6 48.2 1.0
CB A:PRO378 4.8 38.1 1.0
NE2 A:GLN381 4.8 52.4 1.0
OE1 A:GLN381 4.9 53.0 1.0

Bromine binding site 2 out of 3 in 6drq

Go back to Bromine Binding Sites List in 6drq
Bromine binding site 2 out of 3 in the The Crystal Structure of Sats C-Terminal Domain in Complex with Bromine


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of The Crystal Structure of Sats C-Terminal Domain in Complex with Bromine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br502

b:43.0
occ:1.00
CG1 A:VAL413 3.5 37.1 1.0
CG2 A:THR255 3.6 30.6 1.0
O A:GLU410 3.9 37.2 1.0
N A:GLU414 4.1 34.6 1.0
CB A:VAL413 4.2 34.4 1.0
CB A:THR255 4.2 34.2 1.0
CA A:GLU414 4.4 39.9 1.0
CB A:GLU414 4.4 44.1 1.0
CD1 A:LEU331 4.6 36.5 1.0
C A:VAL413 4.7 35.2 1.0
C A:GLU410 4.7 38.1 1.0
CD1 A:LEU417 4.8 42.1 1.0
CA A:GLU410 4.9 36.6 1.0
CB A:GLU410 5.0 39.5 1.0

Bromine binding site 3 out of 3 in 6drq

Go back to Bromine Binding Sites List in 6drq
Bromine binding site 3 out of 3 in the The Crystal Structure of Sats C-Terminal Domain in Complex with Bromine


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of The Crystal Structure of Sats C-Terminal Domain in Complex with Bromine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br503

b:44.8
occ:1.00
CG A:GLU405 3.9 48.4 1.0
CG A:PRO378 4.2 42.3 1.0
CD A:GLU405 4.4 50.9 1.0
CB A:ALA401 4.4 35.2 1.0
O A:ALA401 4.5 33.6 1.0
CD A:PRO378 4.7 38.0 1.0
OE1 A:GLU405 4.8 51.1 1.0
CA A:ALA401 4.8 35.8 1.0
OE2 A:GLU405 4.8 45.9 1.0
C A:ALA401 4.9 33.5 1.0

Reference:

B.K.Miller, R.Hughes, L.S.Ligon, N.W.Rigel, S.Malik, B.R.Anjuwon-Foster, J.C.Sacchettini, M.Braunstein. Mycobacterium Tuberculosissats Is A Chaperone For the SECA2 Protein Export Pathway. Elife V. 8 2019.
ISSN: ESSN 2050-084X
PubMed: 30604681
DOI: 10.7554/ELIFE.40063
Page generated: Thu Jul 11 01:44:18 2024

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