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Chlorine in PDB 3sp7: Crystal Structure of Bcl-Xl Bound to BM903

Protein crystallography data

The structure of Crystal Structure of Bcl-Xl Bound to BM903, PDB code: 3sp7 was solved by J.L.Meagher, J.A.Stuckey, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.89 / 1.40
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 41.627, 54.891, 79.569, 90.00, 90.00, 90.00
R / Rfree (%) 16.4 / 18.5

Other elements in 3sp7:

The structure of Crystal Structure of Bcl-Xl Bound to BM903 also contains other interesting chemical elements:

Zinc (Zn) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Bcl-Xl Bound to BM903 (pdb code 3sp7). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of Bcl-Xl Bound to BM903, PDB code: 3sp7:

Chlorine binding site 1 out of 1 in 3sp7

Go back to Chlorine Binding Sites List in 3sp7
Chlorine binding site 1 out of 1 in the Crystal Structure of Bcl-Xl Bound to BM903


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 Bcl-Xl Bound to BM903 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl210

b:15.5
occ:1.00
CL1 A:03B210 0.0 15.5 1.0
C33 A:03B210 1.7 10.8 1.0
C10 A:03B210 2.7 10.5 1.0
C9 A:03B210 2.7 10.9 1.0
CZ A:PHE105 3.5 13.4 1.0
CE2 A:PHE105 3.6 14.6 1.0
CE1 A:PHE105 3.6 13.8 1.0
CB A:ALA149 3.6 11.5 1.0
CD2 A:PHE105 3.7 13.2 1.0
CD1 A:PHE105 3.7 13.6 1.0
CG A:PHE105 3.8 12.9 1.0
O A:SER145 3.9 10.1 1.0
CA A:PHE146 3.9 8.7 1.0
C16 A:03B210 4.0 10.9 1.0
C17 A:03B210 4.0 9.6 1.0
C A:SER145 4.1 9.7 1.0
N A:PHE146 4.2 8.9 1.0
O A:ALA104 4.3 13.9 1.0
CE1 A:PHE97 4.4 12.2 1.0
CD1 A:LEU108 4.4 16.6 1.0
CA A:PHE105 4.5 13.8 1.0
C37 A:03B210 4.6 9.3 1.0
C A:ALA104 4.6 14.5 1.0
N A:PHE105 4.7 13.2 1.0
CB A:PHE105 4.7 13.9 1.0
CB A:SER145 4.7 9.9 1.0
CB A:PHE146 4.8 9.8 1.0
CB A:ALA104 4.8 10.8 1.0
C A:PHE146 5.0 10.7 1.0
O A:PHE146 5.0 9.6 1.0
CD1 A:PHE146 5.0 12.9 1.0

Reference:

H.Zhou, J.Chen, J.L.Meagher, A.Aguilar, L.Bai, L.Liu, C.Y.Yang, C.Xin, J.A.Stuckey, S.Wang. Structure-Based Design of A New Class of Potent Bcl-2/Bcl-Xl Inhibitors To Be Published.
Page generated: Sat Dec 12 10:10:36 2020

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