Chlorine in PDB 4ngq: Crystal Structure of Glutamate Carboxypeptidase II in A Complex with Urea-Based Inhibitor

Enzymatic activity of Crystal Structure of Glutamate Carboxypeptidase II in A Complex with Urea-Based Inhibitor

All present enzymatic activity of Crystal Structure of Glutamate Carboxypeptidase II in A Complex with Urea-Based Inhibitor:
3.4.17.21;

Protein crystallography data

The structure of Crystal Structure of Glutamate Carboxypeptidase II in A Complex with Urea-Based Inhibitor, PDB code: 4ngq was solved by J.Tykvart, P.Pachl, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	46.89 / 2.08
*Space group*	I 2 2 2
*Cell size a, b, c (Å), α, β, γ (°)*	101.088, 130.347, 158.784, 90.00, 90.00, 90.00
*R / R_free (%)*	16.7 / 21.3

Other elements in 4ngq:

The structure of Crystal Structure of Glutamate Carboxypeptidase II in A Complex with Urea-Based Inhibitor also contains other interesting chemical elements:

Bromine	(Br)	1 atom
Calcium	(Ca)	1 atom
Zinc	(Zn)	2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Glutamate Carboxypeptidase II in A Complex with Urea-Based Inhibitor (pdb code 4ngq). 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 Glutamate Carboxypeptidase II in A Complex with Urea-Based Inhibitor, PDB code: 4ngq:

Chlorine binding site 1 out of 1 in 4ngq

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Chlorine Binding Sites List in 4ngq

Chlorine binding site 1 out of 1 in the Crystal Structure of Glutamate Carboxypeptidase II in A Complex with Urea-Based Inhibitor

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 Glutamate Carboxypeptidase II in A Complex with Urea-Based Inhibitor within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cl818 b:17.9 occ:1.00	O	A:HOH904	3.2	15.1	1.0
	ND2	A:ASN451	3.3	14.0	1.0
	NE	A:ARG534	3.4	17.7	1.0
	NH1	A:ARG534	3.4	15.9	1.0
	N	A:ASP453	3.5	15.0	1.0
	NH2	A:ARG536	3.5	23.6	1.0
	CB	A:ASP453	3.6	15.5	1.0
	CZ	A:ARG534	3.8	16.7	1.0
	CB	A:ARG534	3.9	15.1	1.0
	CA	A:ASP453	3.9	16.6	1.0
	NH2	A:ARG580	4.1	14.5	1.0
	CB	A:ASN451	4.2	12.9	1.0
	C	A:ASP453	4.2	16.8	1.0
	CG	A:ASN451	4.2	12.7	1.0
	CZ	A:ARG536	4.3	24.5	1.0
	N	A:ALA452	4.3	14.6	1.0
	NE	A:ARG536	4.4	23.9	1.0
	C	A:ASN451	4.4	15.2	1.0
	O	A:ASP453	4.4	18.2	1.0
	C	A:ALA452	4.5	15.4	1.0
	CD	A:ARG534	4.5	18.3	1.0
	CA	A:ALA452	4.6	14.3	1.0
	O	A:SER454	4.6	16.4	1.0
	CG	A:ARG534	4.6	16.6	1.0
	O	A:ASN451	4.6	16.4	1.0
	N	A:SER454	4.8	17.2	1.0
	CZ	A:ARG580	4.9	14.9	1.0
	CA	A:ARG534	4.9	15.6	1.0
	ND2	A:ASN519	5.0	13.9	1.0
	O	A:ALA535	5.0	14.8	1.0

Reference:

J.Tykvart, J.Schimer, J.Barinkova, P.Pachl, L.Postova-Slavetinska, P.Majer, J.Konvalinka, P.Sacha. Rational Design of Urea-Based Glutamate Carboxypeptidase II (Gcpii) Inhibitors As Versatile Tools For Specific Drug Targeting and Delivery Bioorg.Med.Chem. 2014.
ISSN: ESSN 1464-3391
DOI: 10.1016/J.BMC.2014.05.061

Page generated: Fri Jul 11 19:36:46 2025

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