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Bromine in PDB 7pj9: Crystal Structure of YTHDC1 with Compound DHU_DC1_232

Protein crystallography data

The structure of Crystal Structure of YTHDC1 with Compound DHU_DC1_232, PDB code: 7pj9 was solved by R.K.Bedi, D.Huang, A.Caflisch, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 40.51 / 1.72
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 39.61, 103.25, 42.19, 90, 106.2, 90
R / Rfree (%) 19.3 / 22.7

Bromine Binding Sites:

The binding sites of Bromine atom in the Crystal Structure of YTHDC1 with Compound DHU_DC1_232 (pdb code 7pj9). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Crystal Structure of YTHDC1 with Compound DHU_DC1_232, PDB code: 7pj9:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in 7pj9

Go back to Bromine Binding Sites List in 7pj9
Bromine binding site 1 out of 2 in the Crystal Structure of YTHDC1 with Compound DHU_DC1_232


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of YTHDC1 with Compound DHU_DC1_232 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br601

b:48.9
occ:1.00
BR A:7RI601 0.0 48.9 1.0
C12 A:7RI601 1.9 43.4 1.0
C09 A:7RI601 2.9 38.7 1.0
C11 A:7RI601 2.9 40.5 1.0
CD A:PRO431 3.3 49.5 1.0
CG A:PRO431 3.3 50.4 1.0
CE A:MET438 3.4 49.5 1.0
SD A:MET438 3.8 61.9 1.0
C08 A:7RI601 4.2 38.4 1.0
SD A:MET434 4.2 64.6 1.0
C10 A:7RI601 4.2 38.5 1.0
O A:HOH733 4.4 40.2 1.0
CE A:MET434 4.4 52.2 1.0
OD1 A:ASN363 4.5 42.8 1.0
N A:PRO431 4.6 49.0 1.0
CB A:PRO431 4.7 48.7 1.0
C07 A:7RI601 4.7 37.2 1.0
CD1 A:LEU430 4.9 42.6 1.0
CB A:MET434 4.9 58.6 1.0
CB A:LEU430 5.0 43.5 1.0

Bromine binding site 2 out of 2 in 7pj9

Go back to Bromine Binding Sites List in 7pj9
Bromine binding site 2 out of 2 in the Crystal Structure of YTHDC1 with Compound DHU_DC1_232


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Crystal Structure of YTHDC1 with Compound DHU_DC1_232 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br601

b:62.5
occ:1.00
BR B:7RI601 0.0 62.5 1.0
C12 B:7RI601 1.9 46.9 1.0
C09 B:7RI601 2.9 41.3 1.0
C11 B:7RI601 2.9 39.9 1.0
C08 B:7RI601 4.2 37.5 1.0
C10 B:7RI601 4.2 38.7 1.0
C07 B:7RI601 4.7 37.4 1.0
ND2 B:ASN363 4.9 45.4 1.0

Reference:

R.K.Bedi, D.Huang, A.Caflisch. Crystal Structure of YTHDC1 with Compound DHU_DC1_232 To Be Published.
Page generated: Thu Jul 11 04:20:13 2024

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