Chlorine in PDB 3qhd: Crystal Structure of 2-C-Methyl-D-Erythritol 2,4-Cyclodiphosphate Synthase From Burkholderia Pseudomallei Bound to Cytidine, FOL795 and FOL955

Enzymatic activity of Crystal Structure of 2-C-Methyl-D-Erythritol 2,4-Cyclodiphosphate Synthase From Burkholderia Pseudomallei Bound to Cytidine, FOL795 and FOL955

All present enzymatic activity of Crystal Structure of 2-C-Methyl-D-Erythritol 2,4-Cyclodiphosphate Synthase From Burkholderia Pseudomallei Bound to Cytidine, FOL795 and FOL955:
4.6.1.12;

Protein crystallography data

The structure of Crystal Structure of 2-C-Methyl-D-Erythritol 2,4-Cyclodiphosphate Synthase From Burkholderia Pseudomallei Bound to Cytidine, FOL795 and FOL955, PDB code: 3qhd was solved by Seattle Structural Genomics Center For Infectious Disease (Ssgcid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	19.95 / 1.70
*Space group*	C 1 2 1
*Cell size a, b, c (Å), α, β, γ (°)*	117.820, 67.950, 60.220, 90.00, 96.30, 90.00
*R / R_free (%)*	15.7 / 18.6

Other elements in 3qhd:

The structure of Crystal Structure of 2-C-Methyl-D-Erythritol 2,4-Cyclodiphosphate Synthase From Burkholderia Pseudomallei Bound to Cytidine, FOL795 and FOL955 also contains other interesting chemical elements:

Potassium	(K)	1 atom
Zinc	(Zn)	3 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of 2-C-Methyl-D-Erythritol 2,4-Cyclodiphosphate Synthase From Burkholderia Pseudomallei Bound to Cytidine, FOL795 and FOL955 (pdb code 3qhd). 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 2-C-Methyl-D-Erythritol 2,4-Cyclodiphosphate Synthase From Burkholderia Pseudomallei Bound to Cytidine, FOL795 and FOL955, PDB code: 3qhd:

Chlorine binding site 1 out of 1 in 3qhd

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Chlorine Binding Sites List in 3qhd

Chlorine binding site 1 out of 1 in the Crystal Structure of 2-C-Methyl-D-Erythritol 2,4-Cyclodiphosphate Synthase From Burkholderia Pseudomallei Bound to Cytidine, FOL795 and FOL955

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 2-C-Methyl-D-Erythritol 2,4-Cyclodiphosphate Synthase From Burkholderia Pseudomallei Bound to Cytidine, FOL795 and FOL955 within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cl164 b:18.4 occ:1.00	O	A:HOH210	2.9	16.1	1.0
	OG	A:SER37	2.9	13.1	1.0
	N	A:SER37	3.5	15.7	1.0
	CE1	A:HIS12	3.5	14.2	1.0
	N	A:HIS36	3.6	17.4	0.5
	N	A:HIS36	3.6	17.5	0.5
	CE1	A:HIS44	3.7	12.0	1.0
	C2	A:MSR166	3.7	18.1	1.0
	CB	A:SER37	3.9	13.8	1.0
	N3	A:MSR166	3.9	19.1	1.0
	CA	A:GLY35	3.9	16.2	1.0
	NFE	A:MSR166	3.9	16.4	1.0
	C	A:GLY35	4.2	17.4	1.0
	CA	A:SER37	4.2	14.5	1.0
	CE2	A:PHE70	4.2	21.1	1.0
	CA	A:ALA39	4.2	10.7	1.0
	C5	A:MSR166	4.2	19.4	1.0
	C4	A:MSR166	4.2	18.1	1.0
	NE2	A:HIS12	4.3	11.5	1.0
	CZ	A:PHE70	4.3	18.8	1.0
	ND1	A:HIS44	4.4	9.1	1.0
	CA	A:HIS36	4.4	18.8	0.5
	C11	A:MSR166	4.4	18.2	1.0
	N	A:ALA39	4.4	11.4	1.0
	C	A:HIS36	4.4	17.1	0.5
	C	A:HIS36	4.4	17.2	0.5
	CA	A:HIS36	4.5	18.5	0.5
	ZN	A:ZN163	4.5	13.4	1.0
	ND1	A:HIS12	4.6	13.2	1.0
	NE2	A:HIS44	4.6	9.7	1.0
	C	A:SER37	4.7	14.2	1.0
	CB	A:HIS36	4.7	19.9	0.5
	CB	A:ALA39	4.7	11.6	1.0
	C16	A:MSR166	4.8	20.2	1.0
	O	A:SER37	4.8	14.4	1.0
	CB	A:HIS36	4.9	19.5	0.5

Reference:

D.W.Begley, R.C.Hartley, D.R.Davies, T.E.Edwards, J.T.Leonard, J.Abendroth, C.A.Burris, J.Bhandari, P.J.Myler, B.L.Staker, L.J.Stewart. Leveraging Structure Determination with Fragment Screening For Infectious Disease Drug Targets: Mecp Synthase From Burkholderia Pseudomallei. J Struct Funct Genomics V. 12 63 2011.
PubMed: 21359640
DOI: 10.1007/S10969-011-9102-6

Page generated: Fri Jul 11 09:24:29 2025

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