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Chlorine in PDB 4ywy: Crystal Structure of Double Mutant Y115E Y117E Human Glutaminyl Cyclase in Complex with Inhibitor Pbd-150

Enzymatic activity of Crystal Structure of Double Mutant Y115E Y117E Human Glutaminyl Cyclase in Complex with Inhibitor Pbd-150

All present enzymatic activity of Crystal Structure of Double Mutant Y115E Y117E Human Glutaminyl Cyclase in Complex with Inhibitor Pbd-150:
2.3.2.5;

Protein crystallography data

The structure of Crystal Structure of Double Mutant Y115E Y117E Human Glutaminyl Cyclase in Complex with Inhibitor Pbd-150, PDB code: 4ywy was solved by F.Di Pisa, C.Pozzi, M.Benvenuti, S.Mangani, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 32.99 / 1.95
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 86.429, 149.540, 96.210, 90.00, 96.82, 90.00
R / Rfree (%) 16.4 / 21.1

Other elements in 4ywy:

The structure of Crystal Structure of Double Mutant Y115E Y117E Human Glutaminyl Cyclase in Complex with Inhibitor Pbd-150 also contains other interesting chemical elements:

Zinc (Zn) 3 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Double Mutant Y115E Y117E Human Glutaminyl Cyclase in Complex with Inhibitor Pbd-150 (pdb code 4ywy). 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 Double Mutant Y115E Y117E Human Glutaminyl Cyclase in Complex with Inhibitor Pbd-150, PDB code: 4ywy:

Chlorine binding site 1 out of 1 in 4ywy

Go back to Chlorine Binding Sites List in 4ywy
Chlorine binding site 1 out of 1 in the Crystal Structure of Double Mutant Y115E Y117E Human Glutaminyl Cyclase in Complex with Inhibitor Pbd-150


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 Double Mutant Y115E Y117E Human Glutaminyl Cyclase in Complex with Inhibitor Pbd-150 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl411

b:55.6
occ:1.00
O A:HOH910 2.6 41.3 1.0
O A:HOH810 3.3 44.6 1.0
OG A:SER323 3.4 9.3 1.0
O A:HOH685 3.6 16.7 1.0
CA A:PRO324 3.7 9.7 1.0
CB A:PRO324 3.8 10.1 1.0
N A:PRO324 4.0 10.2 1.0
CAB A:PBD402 4.1 12.9 1.0
OAQ A:PBD402 4.4 13.0 1.0
C A:SER323 4.5 10.0 1.0
CB A:SER323 4.6 9.1 1.0
O A:HOH538 4.6 14.5 1.0
CA A:SER323 4.7 9.2 1.0
CD A:PRO324 4.7 10.2 1.0
CG A:PRO324 4.8 10.0 1.0
C A:PRO324 5.0 9.1 1.0

Reference:

F.Dipisa, C.Pozzi, M.Benvenuti, M.Andreini, G.Marconi, S.Mangani. The Soluble Y115E-Y117E Variant of Human Glutaminyl Cyclase Is A Valid Target For X-Ray and uc(Nmr) Screening of Inhibitors Against Alzheimer Disease. Acta Crystallogr.,Sect.F V. 71 986 2015.
ISSN: ESSN 2053-230X
PubMed: 26249687
DOI: 10.1107/S2053230X15010389
Page generated: Sat Dec 12 11:26:33 2020

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