Sodium in PDB 7zst: Crystal Structure of Truncated Aspartate Transcarbamoylase From Plasmodium Falciparum in Complex with Fla-01

Enzymatic activity of Crystal Structure of Truncated Aspartate Transcarbamoylase From Plasmodium Falciparum in Complex with Fla-01

All present enzymatic activity of Crystal Structure of Truncated Aspartate Transcarbamoylase From Plasmodium Falciparum in Complex with Fla-01:
2.1.3.2;

Protein crystallography data

The structure of Crystal Structure of Truncated Aspartate Transcarbamoylase From Plasmodium Falciparum in Complex with Fla-01, PDB code: 7zst was solved by C.Wang, B.Zhang, M.R.Groves, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	49.50 / 2.50
*Space group*	I 1 2 1
*Cell size a, b, c (Å), α, β, γ (°)*	119.284, 89.735, 137.052, 90, 109.22, 90
*R / R_free (%)*	23.6 / 28.2

Sodium Binding Sites:

The binding sites of Sodium atom in the Crystal Structure of Truncated Aspartate Transcarbamoylase From Plasmodium Falciparum in Complex with Fla-01 (pdb code 7zst). 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 in Complex with Fla-01, PDB code: 7zst:

Sodium binding site 1 out of 1 in 7zst

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Sodium Binding Sites List in 7zst

Sodium binding site 1 out of 1 in the Crystal Structure of Truncated Aspartate Transcarbamoylase From Plasmodium Falciparum in Complex with Fla-01

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 in Complex with Fla-01 within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Na404 b:36.6 occ:1.00	O	A:HOH503	2.3	30.1	1.0
	O	C:HOH403	2.5	22.2	1.0
	O	C:HOH412	2.5	29.3	1.0
	HD22	A:ASN127	3.7	49.5	1.0
	O	B:HOH503	3.8	49.4	1.0
	HD22	B:ASN127	4.0	41.4	1.0
	O	A:VAL125	4.1	39.3	1.0
	O	B:HOH508	4.2	27.3	1.0
	HD22	C:ASN127	4.2	42.7	1.0
	O	C:VAL125	4.2	36.5	1.0
	O	B:VAL125	4.3	38.4	1.0
	HD21	A:ASN127	4.3	48.1	1.0
	ND2	A:ASN127	4.3	49.0	1.0
	HD21	C:ASN127	4.6	43.2	1.0
	ND2	B:ASN127	4.7	40.6	1.0
	HD21	B:ASN127	4.7	40.2	1.0
	O	A:HOH505	4.7	43.3	1.0
	ND2	C:ASN127	4.7	43.2	1.0
	HG13	B:VAL125	4.9	36.8	1.0
	HG13	A:VAL125	4.9	35.9	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: Wed Oct 9 10:19:57 2024

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