Sodium in PDB 7zea: Crystal Structure of Truncated Aspartate Transcarbamoylase From Plasmodium Falciparum with Bound Inhibitor O-Benzylhydroxylamine

Enzymatic activity of Crystal Structure of Truncated Aspartate Transcarbamoylase From Plasmodium Falciparum with Bound Inhibitor O-Benzylhydroxylamine

All present enzymatic activity of Crystal Structure of Truncated Aspartate Transcarbamoylase From Plasmodium Falciparum with Bound Inhibitor O-Benzylhydroxylamine:
2.1.3.2;

Protein crystallography data

The structure of Crystal Structure of Truncated Aspartate Transcarbamoylase From Plasmodium Falciparum with Bound Inhibitor O-Benzylhydroxylamine, PDB code: 7zea was solved by C.Wang, B.Zhang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	45.28 / 2.45
*Space group*	P 1 2₁ 1
*Cell size a, b, c (Å), α, β, γ (°)*	87.025, 104.507, 87.301, 90, 117.47, 90
*R / R_free (%)*	18.2 / 22.3

Sodium Binding Sites:

The binding sites of Sodium atom in the Crystal Structure of Truncated Aspartate Transcarbamoylase From Plasmodium Falciparum with Bound Inhibitor O-Benzylhydroxylamine (pdb code 7zea). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total only one binding site of Sodium was determined in the Crystal Structure of Truncated Aspartate Transcarbamoylase From Plasmodium Falciparum with Bound Inhibitor O-Benzylhydroxylamine, PDB code: 7zea:

Sodium binding site 1 out of 1 in 7zea

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Sodium Binding Sites List in 7zea

Sodium binding site 1 out of 1 in the Crystal Structure of Truncated Aspartate Transcarbamoylase From Plasmodium Falciparum with Bound Inhibitor O-Benzylhydroxylamine

Mono view

Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Crystal Structure of Truncated Aspartate Transcarbamoylase From Plasmodium Falciparum with Bound Inhibitor O-Benzylhydroxylamine within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Na403 b:43.6 occ:1.00	O	A:HOH528	2.2	36.4	1.0
	O	B:HOH521	2.3	44.3	1.0
	O	C:HOH406	2.3	34.7	1.0
	O	A:HOH506	2.4	36.5	1.0
	O	C:HOH421	2.6	31.7	1.0
	O	B:HOH531	2.6	21.8	1.0
	O	A:VAL125	3.8	40.8	1.0
	O	A:HOH519	3.8	39.0	1.0
	O	B:HOH504	3.8	22.9	1.0
	HD22	A:ASN127	3.9	46.3	1.0
	HD22	C:ASN127	4.0	40.2	1.0
	O	B:HOH506	4.0	31.8	1.0
	O	C:VAL125	4.0	33.7	1.0
	O	B:HOH503	4.0	36.9	1.0
	O	B:HOH524	4.1	43.3	1.0
	O	B:VAL125	4.2	37.2	1.0
	HD22	B:ASN127	4.2	45.8	1.0
	HD21	C:ASN127	4.2	39.4	1.0
	HD21	A:ASN127	4.3	45.6	1.0
	ND2	C:ASN127	4.4	39.9	1.0
	ND2	A:ASN127	4.5	46.6	1.0
	HG13	A:VAL125	4.6	42.7	1.0
	HD21	B:ASN127	4.6	44.7	1.0
	HG13	C:VAL125	4.7	35.5	1.0
	ND2	B:ASN127	4.8	45.9	1.0
	HG13	B:VAL125	4.9	37.8	1.0
	HA	A:LEU126	4.9	42.6	1.0

Reference:

C.Wang, B.Zhang, A.Kruger, X.Du, L.Visser, A.S.S.Domling, C.Wrenger, M.R.Groves. Discovery of Small-Molecule Allosteric Inhibitors of Pf Atc As Antimalarials. J.Am.Chem.Soc. V. 144 19070 2022.
ISSN: ESSN 1520-5126
PubMed: 36195578
DOI: 10.1021/JACS.2C08128

Page generated: Mon Aug 18 12:46:52 2025

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