Calcium in PDB 8hfo: Crystal Structure of Mycobacterium Smegmatis Mshc in Complex with Compound 7D

Enzymatic activity of Crystal Structure of Mycobacterium Smegmatis Mshc in Complex with Compound 7D

All present enzymatic activity of Crystal Structure of Mycobacterium Smegmatis Mshc in Complex with Compound 7D:
6.3.1.13;

Protein crystallography data

The structure of Crystal Structure of Mycobacterium Smegmatis Mshc in Complex with Compound 7D, PDB code: 8hfo was solved by L.Pang, S.D.Weeks, S.V.Strelkov, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	55.03 / 2.77
*Space group*	P 6₁
*Cell size a, b, c (Å), α, β, γ (°)*	168.113, 168.113, 52.3, 90, 90, 120
*R / R_free (%)*	20 / 25.2

Other elements in 8hfo:

The structure of Crystal Structure of Mycobacterium Smegmatis Mshc in Complex with Compound 7D also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

Calcium Binding Sites:

The binding sites of Calcium atom in the Crystal Structure of Mycobacterium Smegmatis Mshc in Complex with Compound 7D (pdb code 8hfo). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Crystal Structure of Mycobacterium Smegmatis Mshc in Complex with Compound 7D, PDB code: 8hfo:

Calcium binding site 1 out of 1 in 8hfo

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Calcium Binding Sites List in 8hfo

Calcium binding site 1 out of 1 in the Crystal Structure of Mycobacterium Smegmatis Mshc in Complex with Compound 7D

Mono view

Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of Mycobacterium Smegmatis Mshc in Complex with Compound 7D within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Ca503 b:92.7 occ:1.00	O	A:TYR172	2.3	107.1	1.0
	O	A:ALA25	2.6	125.0	1.0
	C	A:TYR172	3.4	110.0	1.0
	C	A:ALA25	3.4	104.2	1.0
	CA	A:TYR172	4.0	116.8	1.0
	N	A:ASP26	4.1	111.3	1.0
	CA	A:ALA25	4.2	103.6	1.0
	CA	A:ASP26	4.2	110.2	1.0
	OD1	A:ASP26	4.4	118.5	1.0
	N	A:GLU173	4.5	104.0	1.0
	CB	A:TYR172	4.5	113.2	1.0
	CB	A:ALA25	4.6	104.3	1.0
	CA	A:GLU173	4.7	114.4	1.0
	O	A:GLU173	4.7	107.3	1.0
	C	A:GLU173	4.9	109.8	1.0
	C	A:ASP26	4.9	109.8	1.0
	CD2	A:TYR172	5.0	112.3	1.0

Reference:

L.Pang, S.Lenders, E.M.Osipov, S.D.Weeks, J.Rozenski, T.Piller, D.Cappoen, S.V.Strelkov, A.Van Aerschot. Structural Basis of Cysteine Ligase Mshc Inhibition By Cysteinyl-Sulfonamides. Int J Mol Sci V. 23 2022.
ISSN: ESSN 1422-0067
PubMed: 36499418
DOI: 10.3390/IJMS232315095

Page generated: Thu Jul 10 05:03:51 2025

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