Chlorine in PDB 4b14: Plasmodium Vivax N-Myristoyltransferase with A Bound Benzofuran Inhibitor (Compound 26)

Enzymatic activity of Plasmodium Vivax N-Myristoyltransferase with A Bound Benzofuran Inhibitor (Compound 26)

All present enzymatic activity of Plasmodium Vivax N-Myristoyltransferase with A Bound Benzofuran Inhibitor (Compound 26):
2.3.1.97;

Protein crystallography data

The structure of Plasmodium Vivax N-Myristoyltransferase with A Bound Benzofuran Inhibitor (Compound 26), PDB code: 4b14 was solved by Z.Yu, J.A.Brannigan, D.K.Moss, A.M.Brzozowski, A.J.Wilkinson, A.A.Holder, E.W.Tate, R.J.Leatherbarrow, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	32.64 / 1.50
*Space group*	P 2₁ 2₁ 2₁
*Cell size a, b, c (Å), α, β, γ (°)*	57.380, 118.960, 179.130, 90.00, 90.00, 90.00
*R / R_free (%)*	25.187 / 30.184

Other elements in 4b14:

The structure of Plasmodium Vivax N-Myristoyltransferase with A Bound Benzofuran Inhibitor (Compound 26) also contains other interesting chemical elements:

Magnesium

(Mg)

3 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Plasmodium Vivax N-Myristoyltransferase with A Bound Benzofuran Inhibitor (Compound 26) (pdb code 4b14). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Plasmodium Vivax N-Myristoyltransferase with A Bound Benzofuran Inhibitor (Compound 26), PDB code: 4b14:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 4b14

Go back to

Chlorine Binding Sites List in 4b14

Chlorine binding site 1 out of 3 in the Plasmodium Vivax N-Myristoyltransferase with A Bound Benzofuran Inhibitor (Compound 26)

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Plasmodium Vivax N-Myristoyltransferase with A Bound Benzofuran Inhibitor (Compound 26) within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cl1412 b:9.6 occ:1.00	O	A:HOH2080	3.0	9.1	1.0
	NZ	A:LYS180	3.1	8.2	1.0
	CE2	A:TYR65	3.7	9.1	1.0
	CD	A:LYS180	3.9	6.7	1.0
	CE	A:LYS180	4.0	6.8	1.0
	OH	A:TYR65	4.5	8.9	1.0
	CZ	A:TYR65	4.6	9.6	1.0
	CD2	A:TYR65	4.6	10.3	1.0

Chlorine binding site 2 out of 3 in 4b14

Go back to

Chlorine Binding Sites List in 4b14

Chlorine binding site 2 out of 3 in the Plasmodium Vivax N-Myristoyltransferase with A Bound Benzofuran Inhibitor (Compound 26)

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Plasmodium Vivax N-Myristoyltransferase with A Bound Benzofuran Inhibitor (Compound 26) within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
B:Cl1413 b:9.5 occ:1.00	O	B:HOH2065	3.1	14.1	1.0
	NZ	B:LYS180	3.2	7.7	1.0
	CE2	B:TYR65	3.7	8.8	1.0
	CD	B:LYS180	3.8	6.6	1.0
	CE	B:LYS180	3.9	6.4	1.0
	OH	B:TYR65	4.4	8.4	1.0
	CD2	B:TYR65	4.6	10.1	1.0
	CZ	B:TYR65	4.6	9.1	1.0

Chlorine binding site 3 out of 3 in 4b14

Go back to

Chlorine Binding Sites List in 4b14

Chlorine binding site 3 out of 3 in the Plasmodium Vivax N-Myristoyltransferase with A Bound Benzofuran Inhibitor (Compound 26)

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Plasmodium Vivax N-Myristoyltransferase with A Bound Benzofuran Inhibitor (Compound 26) within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
C:Cl1412 b:9.6 occ:1.00	NH2	C:ARG358	3.2	11.3	1.0
	N	C:LEU248	3.3	8.8	1.0
	O	C:HOH2217	3.4	8.4	1.0
	CA	C:THR247	3.7	7.9	0.5
	CA	C:THR247	3.7	8.8	0.5
	O	C:HOH2310	3.7	19.0	1.0
	C	C:THR247	4.0	8.8	1.0
	O	C:ASP246	4.1	8.4	1.0
	CG2	C:THR247	4.1	6.2	0.5
	CZ	C:ARG358	4.2	11.4	1.0
	CG	C:LEU248	4.2	9.0	1.0
	CB	C:LEU248	4.2	8.8	1.0
	CB	C:THR247	4.2	8.8	0.5
	NH1	C:ARG358	4.3	11.5	1.0
	CD1	C:LEU248	4.3	9.8	1.0
	CB	C:THR247	4.3	6.9	0.5
	CA	C:LEU248	4.4	8.8	1.0
	OG1	C:THR247	4.4	6.7	0.5
	N	C:THR247	4.7	8.3	1.0
	CG2	C:THR247	4.8	9.1	0.5
	C	C:ASP246	4.8	8.8	1.0

Reference:

Z.Yu, J.A.Brannigan, D.K.Moss, A.M.Brzozowski, A.J.Wilkinson, A.A.Holder, E.W.Tate, R.J.Leatherbarrow. Design and Synthesis of Inhibitors of Plasmodium Falciparum N-Myristoyltransferase, A Promising Target For Anti- Malarial Drug Discovery. J.Med.Chem. V. 55 8879 2012.
ISSN: ISSN 0022-2623
PubMed: 23035716
DOI: 10.1021/JM301160H

Page generated: Fri Jul 11 13:06:38 2025

Last articles

Mg in 6KQM
Mg in 6KQL
Mg in 6KQH
Mg in 6KQG
Mg in 6KQ4
Mg in 6KQF
Mg in 6KQD
Mg in 6KQE
Mg in 6KPJ
Mg in 6KPK

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