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Bromine in PDB 8c31: Dark State 1.8 Angstrom Crystal Structure of Cobalamin Binding Domain Belonging to A Light-Dependent Transcription Regulator Ttcarh Obtained Under Aerobic Condition

Protein crystallography data

The structure of Dark State 1.8 Angstrom Crystal Structure of Cobalamin Binding Domain Belonging to A Light-Dependent Transcription Regulator Ttcarh Obtained Under Aerobic Condition, PDB code: 8c31 was solved by H.Poddar, D.Leys, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 61.18 / 1.80
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 64.114, 69.705, 204.544, 90, 90, 90
R / Rfree (%) 17 / 20.9

Other elements in 8c31:

The structure of Dark State 1.8 Angstrom Crystal Structure of Cobalamin Binding Domain Belonging to A Light-Dependent Transcription Regulator Ttcarh Obtained Under Aerobic Condition also contains other interesting chemical elements:

Cobalt (Co) 4 atoms

Bromine Binding Sites:

The binding sites of Bromine atom in the Dark State 1.8 Angstrom Crystal Structure of Cobalamin Binding Domain Belonging to A Light-Dependent Transcription Regulator Ttcarh Obtained Under Aerobic Condition (pdb code 8c31). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 3 binding sites of Bromine where determined in the Dark State 1.8 Angstrom Crystal Structure of Cobalamin Binding Domain Belonging to A Light-Dependent Transcription Regulator Ttcarh Obtained Under Aerobic Condition, PDB code: 8c31:
Jump to Bromine binding site number: 1; 2; 3;

Bromine binding site 1 out of 3 in 8c31

Go back to Bromine Binding Sites List in 8c31
Bromine binding site 1 out of 3 in the Dark State 1.8 Angstrom Crystal Structure of Cobalamin Binding Domain Belonging to A Light-Dependent Transcription Regulator Ttcarh Obtained Under Aerobic Condition


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Dark State 1.8 Angstrom Crystal Structure of Cobalamin Binding Domain Belonging to A Light-Dependent Transcription Regulator Ttcarh Obtained Under Aerobic Condition within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br301

b:45.1
occ:1.00
O A:HOH464 3.5 46.1 1.0
NE A:ARG149 3.9 43.1 1.0
CB A:GLN153 4.0 32.3 1.0
NE B:ARG149 4.0 49.7 1.0
CB B:GLN153 4.1 39.7 1.0
CG A:GLN153 4.2 38.6 1.0
CG B:GLN153 4.2 45.3 1.0
CA A:ALA150 4.3 28.3 1.0
CG A:ARG149 4.3 38.5 1.0
O A:ARG149 4.4 29.4 1.0
N A:ALA150 4.5 29.6 1.0
CD A:ARG149 4.5 38.2 1.0
C A:ARG149 4.6 27.9 1.0
CA B:ALA150 4.6 37.1 1.0
CG B:ARG149 4.6 41.8 1.0
CZ A:ARG149 4.6 39.4 1.0
NH2 B:ARG149 4.6 51.4 1.0
CZ B:ARG149 4.7 48.9 1.0
NH2 A:ARG149 4.7 41.6 1.0
O B:ARG149 4.7 34.9 1.0
CD B:ARG149 4.8 47.4 1.0
CB A:ALA150 4.8 28.1 1.0
N B:ALA150 4.9 37.1 1.0
NE2 B:GLN153 4.9 53.8 1.0
OE1 A:GLN153 4.9 41.9 1.0
C B:ARG149 4.9 33.7 1.0

Bromine binding site 2 out of 3 in 8c31

Go back to Bromine Binding Sites List in 8c31
Bromine binding site 2 out of 3 in the Dark State 1.8 Angstrom Crystal Structure of Cobalamin Binding Domain Belonging to A Light-Dependent Transcription Regulator Ttcarh Obtained Under Aerobic Condition


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Dark State 1.8 Angstrom Crystal Structure of Cobalamin Binding Domain Belonging to A Light-Dependent Transcription Regulator Ttcarh Obtained Under Aerobic Condition within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br301

b:70.0
occ:1.00
NH2 B:ARG190 3.0 69.4 1.0
O C:HOH517 3.3 38.4 1.0
CD B:ARG190 3.5 57.5 1.0
OH B:TYR186 3.8 45.2 1.0
CA B:ALA159 3.8 44.8 1.0
CZ B:ARG190 3.9 70.8 1.0
N B:ALA159 4.0 38.9 1.0
NE B:ARG190 4.2 63.6 1.0
NH2 C:ARG105 4.2 49.8 1.0
C B:LEU158 4.2 40.7 1.0
CB B:ALA159 4.2 43.9 1.0
O B:LEU158 4.3 40.1 1.0
CG B:LEU158 4.3 47.2 1.0
CG B:PRO112 4.4 63.1 1.0
CD2 B:LEU158 4.5 47.6 1.0
CB B:PRO112 4.6 62.8 1.0
CE1 B:TYR186 4.6 42.9 1.0
CZ B:TYR186 4.6 43.9 1.0
CG B:ARG190 4.7 50.8 1.0
CB B:LEU158 4.8 44.1 1.0
O B:LEU155 5.0 37.7 1.0
NH1 B:ARG190 5.0 74.3 1.0

Bromine binding site 3 out of 3 in 8c31

Go back to Bromine Binding Sites List in 8c31
Bromine binding site 3 out of 3 in the Dark State 1.8 Angstrom Crystal Structure of Cobalamin Binding Domain Belonging to A Light-Dependent Transcription Regulator Ttcarh Obtained Under Aerobic Condition


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Dark State 1.8 Angstrom Crystal Structure of Cobalamin Binding Domain Belonging to A Light-Dependent Transcription Regulator Ttcarh Obtained Under Aerobic Condition within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Br301

b:49.2
occ:1.00
O C:HOH477 3.5 37.7 1.0
O D:HOH869 3.8 47.9 1.0
CB C:GLN153 3.9 31.8 1.0
CG C:GLN153 4.1 31.9 1.0
NE C:ARG149 4.1 35.3 1.0
CB D:GLN153 4.1 37.4 1.0
NE D:ARG149 4.2 40.2 1.0
CG D:GLN153 4.3 45.0 1.0
CA C:ALA150 4.3 25.1 1.0
CG C:ARG149 4.4 31.6 1.0
CA D:ALA150 4.5 30.3 1.0
O C:ARG149 4.5 26.9 1.0
N C:ALA150 4.5 26.3 1.0
CD C:ARG149 4.6 36.0 1.0
C C:ARG149 4.6 28.4 1.0
O D:ARG149 4.6 28.7 1.0
CG D:ARG149 4.7 36.4 1.0
CD D:ARG149 4.8 40.2 1.0
N D:ALA150 4.8 29.2 1.0
CZ C:ARG149 4.8 34.3 1.0
CB C:ALA150 4.8 26.5 1.0
OE1 C:GLN153 4.8 37.0 1.0
NH2 C:ARG149 4.8 36.8 1.0
CZ D:ARG149 4.9 38.9 1.0
C D:ARG149 4.9 28.7 1.0
O C:HOH465 4.9 39.9 1.0
NH2 D:ARG149 4.9 37.9 1.0
CD C:GLN153 4.9 33.9 1.0

Reference:

H.Poddar, D.Leys. Dark State 1.8 Angstrom Crystal Structure of Cobalamin Binding Domain Belonging to A Light-Dependent Transcription Regulator Ttcarh Obtained Under Aerobic Condition To Be Published.
Page generated: Thu Jul 11 04:55:31 2024

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