Fluorine in PDB 6hkj: X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Inhibitor Rna 2-19-1

Enzymatic activity of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Inhibitor Rna 2-19-1

All present enzymatic activity of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Inhibitor Rna 2-19-1:
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 2-19-1, PDB code: 6hkj 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)*	47.30 / 2.09
*Space group*	I 2 2 2
*Cell size a, b, c (Å), α, β, γ (°)*	102.296, 131.658, 160.019, 90.00, 90.00, 90.00
*R / R_free (%)*	16 / 20.4

Other elements in 6hkj:

The structure of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Inhibitor Rna 2-19-1 also contains other interesting chemical elements:

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

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 2-19-1 (pdb code 6hkj). 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 2-19-1, PDB code: 6hkj:

Fluorine binding site 1 out of 1 in 6hkj

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Fluorine Binding Sites List in 6hkj

Fluorine binding site 1 out of 1 in the X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Inhibitor Rna 2-19-1

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 2-19-1 within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:F818 b:80.6 occ:1.00	FAI	A:G8W818	0.0	80.6	1.0
	CAG	A:G8W818	1.5	89.6	1.0
	NAH	A:G8W818	2.4	78.7	1.0
	CAE	A:G8W818	2.5	76.7	1.0
	O	A:LYS207	2.6	51.7	1.0
	O	A:HOH918	3.3	67.9	1.0
	C	A:LYS207	3.5	52.4	1.0
	ND2	A:ASN698	3.6	47.2	1.0
	CAF	A:G8W818	3.7	76.5	1.0
	CAC	A:G8W818	3.8	70.7	1.0
	CA	A:LYS207	4.2	51.0	1.0
	CAD	A:G8W818	4.3	70.0	1.0
	N	A:VAL208	4.4	48.8	1.0
	CG	A:ASN698	4.6	48.6	1.0
	CB	A:TYR700	4.6	47.2	1.0
	CD2	A:TYR700	4.7	44.8	1.0
	CA	A:VAL208	4.7	49.3	1.0
	OD1	A:ASN698	4.7	45.2	1.0
	N	A:LYS207	4.9	50.2	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 21:11:34 2024

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