Chlorine in PDB 2pvw: A High Resolution Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with 2-(Phosphonomethyl)Pentanedioic Acid (2-Pmpa)

Enzymatic activity of A High Resolution Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with 2-(Phosphonomethyl)Pentanedioic Acid (2-Pmpa)

All present enzymatic activity of A High Resolution Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with 2-(Phosphonomethyl)Pentanedioic Acid (2-Pmpa):
3.4.17.21;

Protein crystallography data

The structure of A High Resolution Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with 2-(Phosphonomethyl)Pentanedioic Acid (2-Pmpa), PDB code: 2pvw was solved by C.Barinka, J.Lubkowski, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	15.00 / 1.71
*Space group*	I 2 2 2
*Cell size a, b, c (Å), α, β, γ (°)*	101.849, 130.822, 159.452, 90.00, 90.00, 90.00
*R / R_free (%)*	18.2 / 20.7

Other elements in 2pvw:

The structure of A High Resolution Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with 2-(Phosphonomethyl)Pentanedioic Acid (2-Pmpa) also contains other interesting chemical elements:

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

Chlorine Binding Sites:

The binding sites of Chlorine atom in the A High Resolution Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with 2-(Phosphonomethyl)Pentanedioic Acid (2-Pmpa) (pdb code 2pvw). 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 A High Resolution Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with 2-(Phosphonomethyl)Pentanedioic Acid (2-Pmpa), PDB code: 2pvw:

Chlorine binding site 1 out of 1 in 2pvw

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Chlorine Binding Sites List in 2pvw

Chlorine binding site 1 out of 1 in the A High Resolution Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with 2-(Phosphonomethyl)Pentanedioic Acid (2-Pmpa)

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of A High Resolution Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with 2-(Phosphonomethyl)Pentanedioic Acid (2-Pmpa) within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cl1754 b:35.5 occ:1.00	O	A:HOH1788	3.1	35.8	1.0
	ND2	A:ASN451	3.3	26.9	1.0
	NE	A:ARG534	3.3	36.3	1.0
	NH2	A:ARG536	3.4	22.1	0.3
	N	A:ASP453	3.4	26.4	1.0
	NH1	A:ARG534	3.5	37.2	1.0
	CB	A:ASP453	3.8	25.2	1.0
	CB	A:ARG534	3.8	26.9	1.0
	CZ	A:ARG534	3.9	37.2	1.0
	NH2	A:ARG580	4.0	27.9	1.0
	CA	A:ASP453	4.0	27.2	1.0
	CB	A:ASN451	4.1	24.0	1.0
	CG	A:ASN451	4.1	25.0	1.0
	N	A:ALA452	4.2	24.2	1.0
	C	A:ASP453	4.3	28.7	1.0
	CZ	A:ARG536	4.3	26.2	0.3
	NE	A:ARG536	4.3	25.4	0.3
	C	A:ASN451	4.3	24.0	1.0
	O	A:ASP453	4.4	30.2	1.0
	C	A:ALA452	4.4	26.9	1.0
	CA	A:ALA452	4.4	25.8	1.0
	CD	A:ARG536	4.4	34.3	0.7
	CD	A:ARG534	4.5	35.5	1.0
	O	A:ASN451	4.5	27.6	1.0
	CG	A:ARG534	4.5	28.8	1.0
	O	A:SER454	4.7	31.8	1.0
	CZ	A:ARG580	4.8	29.2	1.0
	CA	A:ARG534	4.8	25.9	1.0
	NE	A:ARG536	4.8	35.0	0.7
	O	A:ALA535	4.9	26.6	1.0
	CA	A:ASN451	4.9	23.3	1.0
	N	A:ALA535	4.9	25.2	1.0
	N	A:SER454	4.9	29.1	1.0

Reference:

C.Barinka, M.Rovenska, P.Mlcochova, K.Hlouchova, A.Plechanovova, P.Majer, T.Tsukamoto, B.S.Slusher, J.Konvalinka, J.Lubkowski. Structural Insight Into the Pharmacophore Pocket of Human Glutamate Carboxypeptidase II. J.Med.Chem. V. 50 3267 2007.
ISSN: ISSN 0022-2623
PubMed: 17567119
DOI: 10.1021/JM070133W

Page generated: Sat Jul 20 10:18:15 2024

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