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Chlorine in PDB 5rop: Pandda Analysis Group Deposition -- Proteinase K Changed State Model For Fragment Frag Xtal Screen A12A at Room Temperature

Enzymatic activity of Pandda Analysis Group Deposition -- Proteinase K Changed State Model For Fragment Frag Xtal Screen A12A at Room Temperature

All present enzymatic activity of Pandda Analysis Group Deposition -- Proteinase K Changed State Model For Fragment Frag Xtal Screen A12A at Room Temperature:
3.4.21.64;

Protein crystallography data

The structure of Pandda Analysis Group Deposition -- Proteinase K Changed State Model For Fragment Frag Xtal Screen A12A at Room Temperature, PDB code: 5rop was solved by G.M.A.Lima, V.Talibov, L.S.Benz, E.Jagudin, U.Mueller, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 57.90 / 1.64
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 68.58, 68.58, 108.05, 90, 90, 90
R / Rfree (%) 19.8 / 23.4

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Pandda Analysis Group Deposition -- Proteinase K Changed State Model For Fragment Frag Xtal Screen A12A at Room Temperature (pdb code 5rop). 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 Pandda Analysis Group Deposition -- Proteinase K Changed State Model For Fragment Frag Xtal Screen A12A at Room Temperature, PDB code: 5rop:

Chlorine binding site 1 out of 1 in 5rop

Go back to Chlorine Binding Sites List in 5rop
Chlorine binding site 1 out of 1 in the Pandda Analysis Group Deposition -- Proteinase K Changed State Model For Fragment Frag Xtal Screen A12A at Room Temperature


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Pandda Analysis Group Deposition -- Proteinase K Changed State Model For Fragment Frag Xtal Screen A12A at Room Temperature within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1004

b:34.5
occ:1.00
 CL A:47E1004 0.0 34.5 1.0
C6 A:47E1004 1.8 27.3 1.0
C7 A:47E1004 2.7 28.1 1.0
C5 A:47E1004 2.8 28.7 1.0
OG A:SER224 3.3 33.0 1.0
CB A:ALA158 3.7 17.9 1.0
N A:LEU133 3.7 19.2 1.0
CA A:LEU133 3.7 18.9 1.0
C A:SER132 3.9 21.2 1.0
C A:LEU133 3.9 23.4 1.0
O A:SER132 3.9 25.8 1.0
C2 A:47E1004 4.0 31.3 1.0
O A:HOH1246 4.0 49.1 1.0
C4 A:47E1004 4.1 30.7 1.0
ND2 A:ASN161 4.1 28.0 1.0
OG1 A:THR223 4.3 19.6 1.0
N A:GLY134 4.3 21.0 1.0
O A:LEU133 4.3 20.8 1.0
O A:HOH1230 4.5 38.9 1.0
C3 A:47E1004 4.5 32.9 1.0
CB A:SER224 4.5 25.0 1.0
O A:HOH1227 4.6 31.0 1.0
N A:SER224 4.7 20.5 1.0
CA A:GLY160 4.8 22.3 1.0
CA A:SER132 4.8 18.4 1.0
CA A:SER224 4.8 21.0 1.0
N A:GLY160 4.9 20.4 1.0
CG A:ASN161 5.0 25.0 1.0

Reference:

G.M.A.Lima, E.Jagudin, V.Talibov, L.S.Benz, C.Marullo, T.Barthel, J.Wollenhaupt, M.S.Weiss, U.Mueller. Fragmaxapp: Crystallographic Fragment-Screening Data-Analysis and Project-Management System Acta Crystallogr.,Sect.D V. 77 2021.
ISSN: ESSN 1399-0047
DOI: 10.1107/S2059798321003818
Page generated: Sat Jul 12 08:14:13 2025

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