Fluorine in PDB 6hkz: X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Inhibitor Rna 2-49-1

Enzymatic activity of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Inhibitor Rna 2-49-1

All present enzymatic activity of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Inhibitor Rna 2-49-1:
3.4.17.21;

Protein crystallography data

The structure of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Inhibitor Rna 2-49-1, PDB code: 6hkz was solved by L.Motlova, Z.Novakova, C.Barinka, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	47.59 / 2.09
*Space group*	I 2 2 2
*Cell size a, b, c (Å), α, β, γ (°)*	102.956, 132.259, 161.589, 90.00, 90.00, 90.00
*R / R_free (%)*	17 / 20.3

Other elements in 6hkz:

The structure of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Inhibitor Rna 2-49-1 also contains other interesting chemical elements:

Zinc	(Zn)	2 atoms
Calcium	(Ca)	1 atom
Chlorine	(Cl)	1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Inhibitor Rna 2-49-1 (pdb code 6hkz). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Inhibitor Rna 2-49-1, PDB code: 6hkz:

Fluorine binding site 1 out of 1 in 6hkz

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Fluorine Binding Sites List in 6hkz

Fluorine binding site 1 out of 1 in the X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Inhibitor Rna 2-49-1

Mono view

Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Inhibitor Rna 2-49-1 within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:F818 b:0.8 occ:1.00	FAB	A:GBZ818	0.0	0.8	1.0
	CAA	A:GBZ818	1.3	0.4	1.0
	CAC	A:GBZ818	2.3	0.1	1.0
	NAG	A:GBZ818	2.4	0.7	1.0
	OD2	A:ASP465	3.0	53.2	1.0
	O	A:LYS514	3.3	52.5	0.5
	O	A:LYS514	3.4	48.4	0.5
	CG	A:ASP465	3.6	54.5	1.0
	CB	A:SER513	3.6	52.7	1.0
	CAD	A:GBZ818	3.6	0.1	1.0
	CAF	A:GBZ818	3.7	0.9	1.0
	O	A:HOH930	3.9	50.1	1.0
	OD1	A:ASP465	3.9	54.7	1.0
	CAE	A:GBZ818	4.1	0.7	1.0
	OG	A:SER513	4.2	55.5	1.0
	NH2	A:ARG463	4.4	59.4	1.0
	C	A:LYS514	4.5	53.6	0.5
	CB	A:ASP465	4.5	51.0	1.0
	C	A:LYS514	4.6	49.5	0.5
	N	A:LYS514	4.9	53.2	0.5
	CA	A:SER513	4.9	53.3	1.0
	N	A:GLY516	4.9	46.5	1.0
	N	A:LYS514	5.0	49.0	0.5
	C	A:SER513	5.0	53.0	1.0

Reference:

R.Nakajima, Z.Novakova, W.Tueckmantel, L.Motlova, C.Barinka, A.P.Kozikowski. 2-Aminoadipic Acid-C(O)-Glutamate Based Prostate-Specific Membrane Antigen Ligands For Potential Use As Theranostics. Acs Med Chem Lett V. 9 1099 2018.
ISSN: ISSN 1948-5875
PubMed: 30429952
DOI: 10.1021/ACSMEDCHEMLETT.8B00318

Page generated: Thu Aug 1 21:11:48 2024

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