Chlorine in PDB 7a13: Crystal Structure of Human Methionine Aminopeptidase-2 in Complex with An Inhibitor GSK1978537A (Compound 27)

Enzymatic activity of Crystal Structure of Human Methionine Aminopeptidase-2 in Complex with An Inhibitor GSK1978537A (Compound 27)

All present enzymatic activity of Crystal Structure of Human Methionine Aminopeptidase-2 in Complex with An Inhibitor GSK1978537A (Compound 27):
3.4.11.18;

Protein crystallography data

The structure of Crystal Structure of Human Methionine Aminopeptidase-2 in Complex with An Inhibitor GSK1978537A (Compound 27), PDB code: 7a13 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)*	29.97 / 2.04
*Space group*	C 2 2 2₁
*Cell size a, b, c (Å), α, β, γ (°)*	89.195, 100.770, 99.396, 90.00, 90.00, 90.00
*R / R_free (%)*	16.6 / 19.7

Other elements in 7a13:

The structure of Crystal Structure of Human Methionine Aminopeptidase-2 in Complex with An Inhibitor GSK1978537A (Compound 27) 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 GSK1978537A (Compound 27) (pdb code 7a13). 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 GSK1978537A (Compound 27), PDB code: 7a13:

Chlorine binding site 1 out of 1 in 7a13

Go back to

Chlorine Binding Sites List in 7a13

Chlorine binding site 1 out of 1 in the Crystal Structure of Human Methionine Aminopeptidase-2 in Complex with An Inhibitor GSK1978537A (Compound 27)

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 GSK1978537A (Compound 27) within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cl508 b:38.2 occ:1.00	CL1	A:QW5508	0.0	38.2	1.0
	C15	A:QW5508	1.7	35.9	1.0
	C17	A:QW5508	2.7	37.0	1.0
	C14	A:QW5508	2.7	34.3	1.0
	CD1	A:TYR444	3.3	22.0	1.0
	CB	A:ALA414	3.4	17.7	1.0
	O	A:TYR383	3.6	21.0	1.0
	CG	A:TYR444	3.7	21.1	1.0
	C	A:TYR383	3.8	21.5	1.0
	N	A:TYR383	3.8	16.9	1.0
	CB	A:HIS382	3.8	17.0	1.0
	CB	A:MET384	3.8	18.6	1.0
	CB	A:TYR444	3.9	19.9	1.0
	C13	A:QW5508	4.0	38.4	1.0
	C18	A:QW5508	4.0	40.7	1.0
	CE1	A:TYR444	4.0	20.3	1.0
	C	A:HIS382	4.1	19.8	1.0
	CA	A:TYR383	4.2	16.8	1.0
	N	A:MET384	4.3	16.6	1.0
	CA	A:ALA414	4.4	17.3	1.0
	CA	A:HIS382	4.4	16.4	1.0
	CD2	A:HIS382	4.5	20.0	1.0
	C12	A:QW5508	4.5	41.6	1.0
	CG	A:HIS382	4.5	19.4	1.0
	CD2	A:TYR444	4.5	22.6	1.0
	CA	A:MET384	4.7	16.6	1.0
	SD	A:MET384	4.7	23.3	1.0
	O	A:HIS382	4.7	18.5	1.0
	CG	A:MET384	4.8	20.6	1.0
	CZ	A:TYR444	4.8	28.4	1.0
	O	A:PHE415	4.9	16.1	1.0
	CE	A:MET384	4.9	20.2	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

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW

	© Copyright 2008-2020 by atomistry.com
Home \| Site Map \| Copyright \| Contact us \| Privacy