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Chlorine in PDB 7t0t: Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-10562

Protein crystallography data

The structure of Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-10562, PDB code: 7t0t was solved by D.A.Kuntz, G.G.Prive, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 32.36 / 2.00
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 62.592, 102.549, 65.028, 90, 115.48, 90
R / Rfree (%) 18.1 / 21.9

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-10562 (pdb code 7t0t). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-10562, PDB code: 7t0t:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 7t0t

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Chlorine binding site 1 out of 6 in the Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-10562


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 BCL6 Btb Domain in Complex with Oicr-10562 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl202

b:16.7
occ:1.00
CL19 A:E1I202 0.0 16.7 1.0
C18 A:E1I202 1.8 17.7 1.0
HB3 B:ASN21 2.6 19.1 1.0
C13 A:E1I202 2.7 18.8 1.0
C17 A:E1I202 2.7 16.9 1.0
HA A:ALA52 2.8 16.6 1.0
N12 A:E1I202 3.0 16.6 1.0
HD21 B:LEU25 3.0 22.1 1.0
HG B:LEU25 3.1 20.0 1.0
HD11 B:LEU25 3.2 22.1 1.0
O A:MET51 3.2 13.8 1.0
HD1 A:TYR58 3.3 23.8 1.0
HB3 A:MET51 3.4 17.8 1.0
C A:MET51 3.4 15.3 1.0
HB2 A:MET51 3.5 17.8 1.0
CA A:ALA52 3.6 13.8 1.0
N A:ALA52 3.6 12.9 1.0
CB B:ASN21 3.6 15.9 1.0
CG B:LEU25 3.7 16.6 1.0
CD2 B:LEU25 3.7 18.4 1.0
CD1 A:TYR58 3.8 19.7 1.0
CD1 B:LEU25 3.8 18.3 1.0
CB A:MET51 3.9 14.7 1.0
HB2 A:ALA52 3.9 18.7 1.0
HE1 A:TYR58 3.9 26.8 1.0
O B:ASN21 3.9 15.9 1.0
HD23 B:LEU25 3.9 22.1 1.0
N16 A:E1I202 4.0 22.3 1.0
HE2 A:MET51 4.0 28.1 1.0
C14 A:E1I202 4.0 16.5 1.0
H A:ALA52 4.1 15.6 1.0
HB2 B:ASN21 4.1 19.1 1.0
CG B:ASN21 4.1 17.7 1.0
CE1 A:TYR58 4.2 22.2 1.0
HD12 B:LEU25 4.2 22.1 1.0
CB A:ALA52 4.3 15.5 1.0
C B:ASN21 4.3 14.4 1.0
CA A:MET51 4.3 14.4 1.0
C10 A:E1I202 4.3 18.7 1.0
CA B:ASN21 4.4 15.3 1.0
HA B:ASN21 4.4 18.4 1.0
HD22 B:ASN21 4.4 18.9 1.0
C15 A:E1I202 4.4 22.4 1.0
ND2 B:ASN21 4.5 15.7 1.0
HD22 B:LEU25 4.5 22.1 1.0
HB2 A:TYR58 4.5 23.7 1.0
HB1 A:ALA52 4.6 18.7 1.0
HD13 B:LEU25 4.7 22.1 1.0
HB2 B:ARG24 4.7 22.4 1.0
OD1 B:ASN21 4.7 17.2 1.0
C A:ALA52 4.8 14.1 1.0
HH22 B:ARG28 4.8 29.4 0.5
HA A:MET51 4.8 17.4 1.0
CG A:TYR58 4.8 20.1 1.0
CE A:MET51 4.9 23.3 1.0
O A:THR48 5.0 12.7 1.0
H B:LEU25 5.0 23.0 1.0

Chlorine binding site 2 out of 6 in 7t0t

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Chlorine binding site 2 out of 6 in the Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-10562


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 BCL6 Btb Domain in Complex with Oicr-10562 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl201

b:17.3
occ:1.00
CL19 B:E1I201 0.0 17.3 1.0
C18 B:E1I201 1.8 19.3 1.0
C13 B:E1I201 2.7 17.4 1.0
C17 B:E1I201 2.8 16.6 1.0
HB3 A:ASN21 2.8 15.9 1.0
N12 B:E1I201 2.9 16.4 1.0
HD21 A:LEU25 3.0 19.5 1.0
HA B:ALA52 3.0 17.0 1.0
HD11 A:LEU25 3.0 22.1 1.0
HG A:LEU25 3.2 15.8 1.0
HB3 B:MET51 3.3 18.8 1.0
O B:MET51 3.3 15.7 1.0
C B:MET51 3.5 13.3 1.0
CD2 A:LEU25 3.7 16.2 1.0
CG A:LEU25 3.7 13.1 1.0
CD1 A:LEU25 3.7 18.3 1.0
HB2 B:MET51 3.7 18.8 1.0
CB A:ASN21 3.8 13.1 1.0
CA B:ALA52 3.8 14.1 1.0
N B:ALA52 3.8 12.9 1.0
HD1 B:TYR58 3.9 23.8 1.0
CB B:MET51 3.9 15.6 1.0
HE2 B:MET51 3.9 24.1 1.0
HD23 A:LEU25 3.9 19.5 1.0
N16 B:E1I201 4.0 19.2 1.0
O A:ASN21 4.0 14.0 1.0
C14 B:E1I201 4.0 19.6 1.0
HD12 A:LEU25 4.1 22.1 1.0
CD1 B:TYR58 4.1 19.8 1.0
HB2 B:ALA52 4.2 18.2 1.0
C10 B:E1I201 4.3 16.8 1.0
HB2 A:ASN21 4.3 15.9 1.0
CG A:ASN21 4.3 17.3 1.0
CA B:MET51 4.3 14.0 1.0
HE1 B:TYR58 4.4 22.9 1.0
CE1 B:TYR58 4.4 19.0 1.0
H B:ALA52 4.4 15.6 1.0
C A:ASN21 4.4 13.5 1.0
HA A:ASN21 4.4 17.4 1.0
C15 B:E1I201 4.4 18.6 1.0
HD22 A:LEU25 4.5 19.5 1.0
CA A:ASN21 4.5 14.5 1.0
HD13 A:LEU25 4.5 22.1 1.0
HB2 B:TYR58 4.5 21.3 1.0
CB B:ALA52 4.6 15.1 1.0
CG B:TYR58 4.7 17.9 1.0
HD22 A:ASN21 4.7 19.6 1.0
ND2 A:ASN21 4.8 16.3 1.0
HA B:MET51 4.8 16.9 1.0
CE B:MET51 4.9 20.0 1.0
HB2 A:ARG24 4.9 17.5 1.0
OD1 A:ASN21 4.9 16.0 1.0
C B:ALA52 4.9 13.4 1.0
HB1 B:ALA52 4.9 18.2 1.0
H A:LEU25 5.0 15.2 1.0

Chlorine binding site 3 out of 6 in 7t0t

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Chlorine binding site 3 out of 6 in the Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-10562


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-10562 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl201

b:16.4
occ:1.00
CL19 C:E1I201 0.0 16.4 1.0
C18 C:E1I201 1.8 15.8 1.0
C13 C:E1I201 2.7 16.2 1.0
C17 C:E1I201 2.7 15.2 1.0
N12 C:E1I201 2.9 15.9 1.0
HB3 D:ASN21 2.9 16.0 1.0
HA C:ALA52 3.0 16.7 1.0
HD21 D:LEU25 3.1 19.4 1.0
HG D:LEU25 3.1 20.0 1.0
HB3 C:MET51 3.2 18.2 1.0
HD11 D:LEU25 3.2 20.8 1.0
O C:MET51 3.4 12.8 1.0
C C:MET51 3.6 14.8 1.0
HE2 C:MET51 3.7 24.0 1.0
CG D:LEU25 3.7 16.6 1.0
CD2 D:LEU25 3.7 16.1 1.0
N C:ALA52 3.7 13.4 1.0
CA C:ALA52 3.8 13.9 1.0
HB2 C:MET51 3.8 18.2 1.0
CD1 D:LEU25 3.9 17.2 1.0
HD23 D:LEU25 3.9 19.4 1.0
CB D:ASN21 3.9 13.2 1.0
CB C:MET51 3.9 15.1 1.0
O D:ASN21 3.9 11.3 1.0
N16 C:E1I201 4.0 17.5 1.0
HD1 C:TYR58 4.0 20.5 1.0
C14 C:E1I201 4.0 17.0 1.0
CD1 C:TYR58 4.2 17.0 1.0
HB2 C:ALA52 4.2 16.4 1.0
H C:ALA52 4.2 16.2 1.0
HD12 D:LEU25 4.2 20.8 1.0
HE1 C:TYR58 4.3 22.0 1.0
C10 C:E1I201 4.3 18.4 1.0
CE1 C:TYR58 4.3 18.2 1.0
CA C:MET51 4.4 14.2 1.0
HB2 D:ASN21 4.4 16.0 1.0
C15 C:E1I201 4.4 16.0 1.0
C D:ASN21 4.5 15.2 1.0
CG D:ASN21 4.5 15.3 1.0
HA D:ASN21 4.5 16.3 1.0
CB C:ALA52 4.5 13.6 1.0
CA D:ASN21 4.6 13.5 1.0
HD22 D:LEU25 4.6 19.4 1.0
CE C:MET51 4.6 19.9 1.0
HD13 D:LEU25 4.6 20.8 1.0
HB2 C:TYR58 4.7 20.0 1.0
CG C:TYR58 4.8 18.4 1.0
HA C:MET51 4.8 17.2 1.0
HB2 D:ARG24 4.9 16.6 1.0
C C:ALA52 4.9 15.2 1.0
HB1 C:ALA52 4.9 16.4 1.0
HD22 D:ASN21 4.9 20.7 1.0
ND2 D:ASN21 5.0 17.1 1.0
H D:LEU25 5.0 17.4 1.0
OD1 D:ASN21 5.0 16.9 1.0

Chlorine binding site 4 out of 6 in 7t0t

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Chlorine binding site 4 out of 6 in the Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-10562


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-10562 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl201

b:16.1
occ:0.97
CL19 D:E1I201 0.0 16.1 1.0
C18 D:E1I201 1.8 18.7 1.0
C13 D:E1I201 2.7 18.0 1.0
C17 D:E1I201 2.7 16.6 1.0
HA D:ALA52 2.7 15.9 1.0
HB3 C:ASN21 2.8 16.5 1.0
N12 D:E1I201 3.0 16.9 1.0
HG C:LEU25 3.1 20.1 1.0
HD21 C:LEU25 3.1 22.9 1.0
HD11 C:LEU25 3.2 22.3 1.0
HD1 D:TYR58 3.3 25.1 1.0
O D:MET51 3.3 15.0 1.0
HB3 D:MET51 3.4 20.7 1.0
C D:MET51 3.4 13.8 1.0
N D:ALA52 3.5 13.7 1.0
HB2 D:MET51 3.5 20.7 1.0
CA D:ALA52 3.5 13.2 1.0
CG C:LEU25 3.7 16.6 1.0
CB C:ASN21 3.8 13.7 1.0
CD2 C:LEU25 3.8 19.0 1.0
O C:ASN21 3.8 17.0 1.0
HE1 D:TYR58 3.8 26.6 1.0
CD1 D:TYR58 3.8 20.9 1.0
CD1 C:LEU25 3.8 18.5 1.0
CB D:MET51 3.8 17.1 1.0
HB2 D:ALA52 3.9 17.4 1.0
H D:ALA52 3.9 16.6 1.0
N16 D:E1I201 4.0 18.2 1.0
C14 D:E1I201 4.0 17.6 1.0
HD23 C:LEU25 4.0 22.9 1.0
CE1 D:TYR58 4.1 22.1 1.0
HD12 C:LEU25 4.1 22.3 1.0
CG C:ASN21 4.3 16.8 1.0
C C:ASN21 4.3 16.0 1.0
CB D:ALA52 4.3 14.4 1.0
CA D:MET51 4.3 14.5 1.0
C10 D:E1I201 4.3 17.3 1.0
HB2 C:ASN21 4.4 16.5 1.0
HA C:ASN21 4.4 16.1 1.0
C15 D:E1I201 4.4 20.0 1.0
CA C:ASN21 4.4 13.3 1.0
HE2 D:MET51 4.5 25.1 1.0
HB2 D:TYR58 4.6 21.7 1.0
HD22 C:LEU25 4.6 22.9 1.0
HB1 D:ALA52 4.7 17.4 1.0
HD13 C:LEU25 4.7 22.3 1.0
C D:ALA52 4.7 15.5 1.0
OD1 C:ASN21 4.7 17.3 1.0
ND2 C:ASN21 4.8 16.5 1.0
HD22 C:ASN21 4.8 19.9 1.0
HA D:MET51 4.8 17.6 1.0
CG D:TYR58 4.8 21.1 1.0
HB2 C:ARG24 4.8 22.7 1.0
O D:THR48 4.9 14.8 1.0

Chlorine binding site 5 out of 6 in 7t0t

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Chlorine binding site 5 out of 6 in the Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-10562


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-10562 within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl201

b:14.0
occ:1.00
CL19 E:E1I201 0.0 14.0 1.0
C18 E:E1I201 1.8 15.6 1.0
C13 E:E1I201 2.6 15.9 1.0
HA E:ALA52 2.8 16.5 1.0
C17 E:E1I201 2.8 17.3 1.0
N12 E:E1I201 2.8 14.0 1.0
HD21 F:LEU25 2.9 26.9 1.0
HB3 F:ASN21 2.9 17.4 1.0
HD2 E:TYR58 2.9 24.6 1.0
O E:MET51 3.2 15.0 1.0
HE2 E:TYR58 3.2 25.1 1.0
HD11 F:LEU25 3.3 27.4 1.0
HG F:LEU25 3.3 22.9 1.0
C E:MET51 3.5 15.3 1.0
HB3 E:MET51 3.5 18.2 1.0
CA E:ALA52 3.6 13.7 1.0
CD2 F:LEU25 3.6 22.3 1.0
N E:ALA52 3.6 12.9 1.0
CD2 E:TYR58 3.6 20.4 1.0
HB2 E:MET51 3.7 18.2 1.0
CE2 E:TYR58 3.8 20.8 1.0
HD23 F:LEU25 3.8 26.9 1.0
CG F:LEU25 3.8 19.0 1.0
CB F:ASN21 3.9 14.4 1.0
C14 E:E1I201 4.0 15.9 1.0
N16 E:E1I201 4.0 14.3 1.0
CD1 F:LEU25 4.0 22.7 1.0
CB E:MET51 4.0 15.1 1.0
HB2 E:ALA52 4.0 17.9 1.0
H E:ALA52 4.2 15.6 1.0
O F:ASN21 4.2 18.1 1.0
C10 E:E1I201 4.2 16.1 1.0
HE2 E:MET51 4.3 27.5 1.0
HB2 F:ASN21 4.3 17.4 1.0
CB E:ALA52 4.3 14.8 1.0
CA E:MET51 4.4 16.4 1.0
HD22 F:LEU25 4.4 26.9 1.0
HD12 F:LEU25 4.4 27.4 1.0
C15 E:E1I201 4.4 16.9 1.0
C F:ASN21 4.5 16.6 1.0
H11 E:DMS202 4.5 32.7 0.9
CG F:ASN21 4.5 15.2 1.0
HA F:ASN21 4.6 18.3 1.0
CA F:ASN21 4.6 15.2 1.0
HB1 E:ALA52 4.7 17.9 1.0
C E:ALA52 4.7 15.4 1.0
HD22 F:ASN21 4.7 17.6 1.0
HD13 F:LEU25 4.7 27.4 1.0
ND2 F:ASN21 4.9 14.6 1.0
HB2 E:TYR58 4.9 23.5 1.0
HA E:MET51 4.9 19.8 1.0
CG E:TYR58 4.9 22.1 1.0
C09 E:E1I201 5.0 14.1 1.0

Chlorine binding site 6 out of 6 in 7t0t

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Chlorine binding site 6 out of 6 in the Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-10562


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-10562 within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl201

b:18.0
occ:1.00
CL19 F:E1I201 0.0 18.0 1.0
C18 F:E1I201 1.8 20.6 1.0
C13 F:E1I201 2.7 18.5 1.0
C17 F:E1I201 2.8 21.0 1.0
HB3 E:ASN21 2.8 19.7 1.0
HA F:ALA52 2.8 19.6 1.0
N12 F:E1I201 2.9 17.8 1.0
HD2 F:TYR58 2.9 26.8 1.0
HE2 F:TYR58 3.1 27.6 1.0
HD21 E:LEU25 3.2 26.4 1.0
O F:MET51 3.3 16.7 1.0
HB3 F:MET51 3.3 20.2 1.0
HG E:LEU25 3.4 24.6 1.0
HD11 E:LEU25 3.4 20.7 1.0
C F:MET51 3.5 18.5 1.0
CD2 F:TYR58 3.6 22.2 1.0
CA F:ALA52 3.6 16.2 1.0
HD23 E:LEU25 3.7 26.4 1.0
CE2 F:TYR58 3.7 22.9 1.0
N F:ALA52 3.7 18.2 1.0
CB E:ASN21 3.7 16.4 1.0
CD2 E:LEU25 3.7 21.9 1.0
HB2 F:MET51 3.9 20.2 1.0
CG E:LEU25 3.9 20.5 1.0
CB F:MET51 3.9 16.8 1.0
C14 F:E1I201 4.0 19.2 1.0
N16 F:E1I201 4.0 22.2 1.0
HB2 F:ALA52 4.1 17.4 1.0
CD1 E:LEU25 4.1 17.1 1.0
O E:ASN21 4.1 17.3 1.0
HE2 F:MET51 4.2 28.8 1.0
HB2 E:ASN21 4.2 19.7 1.0
H F:ALA52 4.3 21.9 1.0
C10 F:E1I201 4.3 18.7 1.0
CG E:ASN21 4.4 17.8 1.0
CA F:MET51 4.4 16.1 1.0
CB F:ALA52 4.4 14.4 1.0
C E:ASN21 4.4 17.1 1.0
C15 F:E1I201 4.4 21.5 1.0
HA E:ASN21 4.5 22.8 1.0
CA E:ASN21 4.5 18.9 1.0
HD12 E:LEU25 4.5 20.7 1.0
HD22 E:ASN21 4.6 18.1 1.0
HB3 E:ARG24 4.6 32.6 1.0
HD22 E:LEU25 4.7 26.4 1.0
ND2 E:ASN21 4.7 15.0 1.0
HB1 F:ALA52 4.7 17.4 1.0
C F:ALA52 4.7 15.6 1.0
HA F:MET51 4.8 19.4 1.0
HD13 E:LEU25 4.9 20.7 1.0
CG F:TYR58 4.9 22.6 1.0
HB2 F:TYR58 4.9 23.2 1.0
OD1 E:ASN21 5.0 16.4 1.0

Reference:

D.A.Kuntz, G.G.Prive. Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-10562 To Be Published.
Page generated: Sun Jul 13 07:16:49 2025

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