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Chlorine in PDB 5kco: SETDB1 in Complex with An Early Stage, Low Affinity Fragment Candidate Modelled at Reduced Occupancy

Enzymatic activity of SETDB1 in Complex with An Early Stage, Low Affinity Fragment Candidate Modelled at Reduced Occupancy

All present enzymatic activity of SETDB1 in Complex with An Early Stage, Low Affinity Fragment Candidate Modelled at Reduced Occupancy:
2.1.1.43;

Protein crystallography data

The structure of SETDB1 in Complex with An Early Stage, Low Affinity Fragment Candidate Modelled at Reduced Occupancy, PDB code: 5kco was solved by W.Tempel, R.J.Harding, P.Mader, E.Dobrovetsky, J.R.Walker, P.J.Brown, M.Schapira, P.Collins, N.Pearce, J.Brandao-Neto, A.Douangamath, F.Vondelft, C.Bountra, C.H.Arrowsmith, A.M.Edwards, V.Santhakumar, Structuralgenomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.30 / 1.47
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 55.772, 63.761, 70.522, 90.00, 90.00, 90.00
R / Rfree (%) 18.3 / 21.5

Chlorine Binding Sites:

The binding sites of Chlorine atom in the SETDB1 in Complex with An Early Stage, Low Affinity Fragment Candidate Modelled at Reduced Occupancy (pdb code 5kco). 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 SETDB1 in Complex with An Early Stage, Low Affinity Fragment Candidate Modelled at Reduced Occupancy, PDB code: 5kco:

Chlorine binding site 1 out of 1 in 5kco

Go back to Chlorine Binding Sites List in 5kco
Chlorine binding site 1 out of 1 in the SETDB1 in Complex with An Early Stage, Low Affinity Fragment Candidate Modelled at Reduced Occupancy


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of SETDB1 in Complex with An Early Stage, Low Affinity Fragment Candidate Modelled at Reduced Occupancy within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl503

b:32.4
occ:0.84
 CL A:6RO503 0.0 32.4 0.8
C4 A:6RO503 1.7 19.2 0.8
C3 A:6RO503 2.7 20.4 0.8
C5 A:6RO503 2.7 20.1 0.8
O A:HOH669 3.6 29.6 0.6
O A:HOH649 3.7 28.9 0.7
O A:SER328 3.7 20.7 1.0
O A:HOH673 3.7 34.9 0.7
CB A:SER328 4.0 25.1 0.6
C2 A:6RO503 4.0 18.0 0.8
C6 A:6RO503 4.0 18.6 0.8
OG1 A:THR393 4.0 23.8 1.0
CB A:SER328 4.0 23.1 0.4
C A:SER328 4.1 19.4 1.0
CB A:PHE332 4.3 17.6 1.0
OG A:SER328 4.4 27.1 0.6
CD1 A:PHE332 4.4 21.1 1.0
C1 A:6RO503 4.5 16.9 0.8
CA A:SER328 4.6 22.7 0.6
CA A:SER328 4.6 21.9 0.4
CG A:PHE332 4.6 18.7 1.0
N A:CYS329 4.8 19.9 1.0
OG A:SER328 5.0 22.8 0.4

Reference:

W.Tempel, R.J.Harding, P.Mader, E.Dobrovetsky, J.R.Walker, P.J.Brown, M.Schapira, C.H.Arrowsmith, A.M.Edwards, S.Santhakumar, Structural Genomics Consortium (Sgc). SETDB1 in Complex with An Early Stage, Low Affinity Fragment Candidate Modelled at Reduced Occupancy To Be Published.
Page generated: Sat Dec 12 11:56:15 2020

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