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Chlorine in PDB 5e20: Crystal Structure of the Organohalide Sensing Rdhr-CBDBA1625 Transcriptional Regulator in the 2,3-Dichlorophenol Bound Form

Protein crystallography data

The structure of Crystal Structure of the Organohalide Sensing Rdhr-CBDBA1625 Transcriptional Regulator in the 2,3-Dichlorophenol Bound Form, PDB code: 5e20 was solved by C.P.Quezada, M.S.Dunstan, K.Fisher, D.Leys, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.39 / 1.97
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 71.320, 71.320, 87.120, 90.00, 90.00, 120.00
R / Rfree (%) 19.1 / 23.4

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of the Organohalide Sensing Rdhr-CBDBA1625 Transcriptional Regulator in the 2,3-Dichlorophenol Bound Form (pdb code 5e20). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of the Organohalide Sensing Rdhr-CBDBA1625 Transcriptional Regulator in the 2,3-Dichlorophenol Bound Form, PDB code: 5e20:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 5e20

Go back to Chlorine Binding Sites List in 5e20
Chlorine binding site 1 out of 2 in the Crystal Structure of the Organohalide Sensing Rdhr-CBDBA1625 Transcriptional Regulator in the 2,3-Dichlorophenol Bound Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of the Organohalide Sensing Rdhr-CBDBA1625 Transcriptional Regulator in the 2,3-Dichlorophenol Bound Form within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl201

b:32.6
occ:1.00
CL1 A:5JF201 0.0 32.6 1.0
CAI A:5JF201 1.9 30.6 1.0
CAG A:5JF201 2.8 32.3 1.0
CAH A:5JF201 2.8 31.2 1.0
OAA A:5JF201 2.9 33.3 1.0
CL2 A:5JF201 3.1 36.2 1.0
O A:HOH357 3.4 25.9 1.0
CZ A:PHE66 3.8 33.3 1.0
CE2 A:PHE66 4.1 37.8 1.0
CAE A:5JF201 4.1 29.1 1.0
CAF A:5JF201 4.2 29.6 1.0
CB A:ALA43 4.2 20.0 1.0
CG1 A:VAL65 4.3 24.6 1.0
CAD A:5JF201 4.6 27.0 1.0
CE1 A:PHE66 4.7 35.0 1.0
CG1 A:ILE64 4.8 28.0 1.0

Chlorine binding site 2 out of 2 in 5e20

Go back to Chlorine Binding Sites List in 5e20
Chlorine binding site 2 out of 2 in the Crystal Structure of the Organohalide Sensing Rdhr-CBDBA1625 Transcriptional Regulator in the 2,3-Dichlorophenol Bound Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of the Organohalide Sensing Rdhr-CBDBA1625 Transcriptional Regulator in the 2,3-Dichlorophenol Bound Form within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl201

b:36.2
occ:1.00
CL2 A:5JF201 0.0 36.2 1.0
CAH A:5JF201 1.8 31.2 1.0
CAI A:5JF201 2.7 30.6 1.0
CAF A:5JF201 2.8 29.6 1.0
CL1 A:5JF201 3.1 32.6 1.0
O A:HOH366 3.5 36.1 1.0
CAG A:5JF201 4.0 32.3 1.0
CAD A:5JF201 4.1 27.0 1.0
O A:HOH309 4.3 40.0 1.0
CAE A:5JF201 4.5 29.1 1.0
CB A:ALA43 4.6 20.0 1.0
OAA A:5JF201 5.0 33.3 1.0

Reference:

C.P.Quezada, M.S.Dunstan, K.Fisher, D.Leys. Crystal Structures of RDHRCBDBA1625 Provide Insight Into Sensing of Chloroaromatic Compounds By Marr-Type Regulators To Be Published.
Page generated: Sat Dec 12 11:40:14 2020

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