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Chlorine in PDB 7a12: Crystal Structure of Human Methionine Aminopeptidase-2 in Complex with An Inhibitor GW557358X (Compound 9)

Enzymatic activity of Crystal Structure of Human Methionine Aminopeptidase-2 in Complex with An Inhibitor GW557358X (Compound 9)

All present enzymatic activity of Crystal Structure of Human Methionine Aminopeptidase-2 in Complex with An Inhibitor GW557358X (Compound 9):
3.4.11.18;

Protein crystallography data

The structure of Crystal Structure of Human Methionine Aminopeptidase-2 in Complex with An Inhibitor GW557358X (Compound 9), PDB code: 7a12 was solved by J.H.Thorpe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 24.76 / 2.00
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 88.424, 100.628, 99.031, 90.00, 90.00, 90.00
R / Rfree (%) 17.8 / 19.8

Other elements in 7a12:

The structure of Crystal Structure of Human Methionine Aminopeptidase-2 in Complex with An Inhibitor GW557358X (Compound 9) also contains other interesting chemical elements:

Manganese (Mn) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Human Methionine Aminopeptidase-2 in Complex with An Inhibitor GW557358X (Compound 9) (pdb code 7a12). 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 Human Methionine Aminopeptidase-2 in Complex with An Inhibitor GW557358X (Compound 9), PDB code: 7a12:

Chlorine binding site 1 out of 1 in 7a12

Go back to Chlorine Binding Sites List in 7a12
Chlorine binding site 1 out of 1 in the Crystal Structure of Human Methionine Aminopeptidase-2 in Complex with An Inhibitor GW557358X (Compound 9)


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 Human Methionine Aminopeptidase-2 in Complex with An Inhibitor GW557358X (Compound 9) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl510

b:34.3
occ:0.50
 CL1 A:QVK510 0.0 34.3 0.5
O4 A:PO4509 1.6 51.9 0.5
C09 A:QVK510 1.7 32.2 0.5
C08 A:QVK510 2.7 31.1 0.5
C11 A:QVK510 2.7 32.8 0.5
P A:PO4509 2.8 52.2 0.5
O2 A:PO4509 3.1 51.0 0.5
CD1 A:TYR444 3.3 27.4 1.0
O1 A:PO4509 3.4 52.1 0.5
CB A:ALA414 3.4 20.0 1.0
O A:TYR383 3.5 23.9 1.0
CG A:TYR444 3.6 26.2 1.0
CB A:HIS382 3.7 20.1 1.0
C A:TYR383 3.7 24.4 1.0
N A:TYR383 3.7 19.2 1.0
CB A:TYR444 3.8 24.5 1.0
CB A:MET384 3.9 20.8 1.0
CE1 A:TYR444 4.0 27.5 1.0
C07 A:QVK510 4.0 33.0 0.5
C A:HIS382 4.0 22.7 1.0
C12 A:QVK510 4.0 33.8 0.5
CA A:TYR383 4.1 19.3 1.0
O3 A:PO4509 4.1 53.7 0.5
N A:MET384 4.2 19.5 1.0
CA A:HIS382 4.3 19.8 1.0
CA A:ALA414 4.4 19.6 1.0
CD2 A:HIS382 4.4 23.2 1.0
CG A:HIS382 4.5 22.6 1.0
CD2 A:TYR444 4.5 26.9 1.0
C06 A:QVK510 4.5 34.7 0.5
O A:HIS382 4.6 22.5 1.0
CA A:MET384 4.6 19.2 1.0
SD A:MET384 4.8 26.2 1.0
CZ A:TYR444 4.8 33.7 1.0
O A:PHE415 4.8 20.8 1.0
CG A:MET384 4.9 22.6 1.0
N A:PHE415 5.0 19.8 1.0
CE2 A:TYR444 5.0 27.9 1.0

Reference:

D.J.Hirst, M.Brandt, G.Bruton, E.Christodoulou, L.Cutler, N.Deeks, J.D.Goodacre, T.Jack, M.Lindon, A.Miah, K.Page, N.Parr, L.Shukla, M.Sims, P.Thomas, J.Thorpe, D.S.Holmes. Structure-Based Optimisation of Orally Active & Reversible Metap-2 Inhibitors Maintaining A Tight 'Molecular Budget'. Bioorg.Med.Chem.Lett. V. 30 27533 2020.
ISSN: ESSN 1464-3405
PubMed: 32919012
DOI: 10.1016/J.BMCL.2020.127533
Page generated: Mon Jul 29 18:17:53 2024

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