Chlorine in PDB 4eg6: Trypanosoma Brucei Methionyl-Trna Synthetase in Complex with Inhibitor Chem 1325

Enzymatic activity of Trypanosoma Brucei Methionyl-Trna Synthetase in Complex with Inhibitor Chem 1325

All present enzymatic activity of Trypanosoma Brucei Methionyl-Trna Synthetase in Complex with Inhibitor Chem 1325:
6.1.1.10;

Protein crystallography data

The structure of Trypanosoma Brucei Methionyl-Trna Synthetase in Complex with Inhibitor Chem 1325, PDB code: 4eg6 was solved by C.Y.Koh, J.E.Kim, S.Shibata, E.Fan, C.L.M.J.Verlinde, W.G.J.Hol, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	30.00 / 2.90
*Space group*	P 2₁ 2₁ 2₁
*Cell size a, b, c (Å), α, β, γ (°)*	86.638, 105.629, 207.439, 90.00, 90.00, 90.00
*R / R_free (%)*	19 / 24.3

Other elements in 4eg6:

The structure of Trypanosoma Brucei Methionyl-Trna Synthetase in Complex with Inhibitor Chem 1325 also contains other interesting chemical elements:

Arsenic

(As)

2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Trypanosoma Brucei Methionyl-Trna Synthetase in Complex with Inhibitor Chem 1325 (pdb code 4eg6). 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 Trypanosoma Brucei Methionyl-Trna Synthetase in Complex with Inhibitor Chem 1325, PDB code: 4eg6:

Chlorine binding site 1 out of 1 in 4eg6

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Chlorine Binding Sites List in 4eg6

Chlorine binding site 1 out of 1 in the Trypanosoma Brucei Methionyl-Trna Synthetase in Complex with Inhibitor Chem 1325

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Trypanosoma Brucei Methionyl-Trna Synthetase in Complex with Inhibitor Chem 1325 within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
B:Cl906 b:44.2 occ:1.00	CL1	B:0P5906	0.0	44.2	1.0
	CAY	B:0P5906	1.7	38.2	1.0
	CBD	B:0P5906	2.7	38.6	1.0
	CAJ	B:0P5906	2.7	37.3	1.0
	OAW	B:0P5906	2.8	39.7	1.0
	C4	B:0P5906	3.4	41.9	1.0
	CD2	B:PHE522	3.7	34.1	1.0
	CE3	B:TRP474	3.9	43.0	1.0
	CB	B:PHE522	4.0	32.4	1.0
	CAG	B:0P5906	4.0	36.7	1.0
	CAZ	B:0P5906	4.0	35.3	1.0
	CG	B:PHE522	4.0	33.4	1.0
	N3	B:0P5906	4.1	42.9	1.0
	CZ3	B:TRP474	4.1	43.3	1.0
	C5	B:0P5906	4.1	43.0	1.0
	CG	B:LEU478	4.1	32.4	1.0
	CG2	B:VAL473	4.2	43.4	1.0
	CD1	B:LEU478	4.3	32.5	1.0
	CAF	B:0P5906	4.5	35.4	1.0
	CE2	B:PHE522	4.5	35.3	1.0
	CB	B:ALA477	4.5	35.1	1.0
	CD2	B:LEU478	4.6	32.4	1.0
	O	B:VAL473	4.7	40.0	1.0
	CA	B:TRP474	5.0	41.0	1.0

Reference:

C.Y.Koh, J.E.Kim, S.Shibata, R.M.Ranade, M.Yu, J.Liu, J.R.Gillespie, F.S.Buckner, C.L.Verlinde, E.Fan, W.G.Hol. Distinct States of Methionyl-Trna Synthetase Indicate Inhibitor Binding By Conformational Selection. Structure V. 20 1681 2012.
ISSN: ISSN 0969-2126
PubMed: 22902861
DOI: 10.1016/J.STR.2012.07.011

Page generated: Sat Dec 12 10:34:22 2020

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