Sodium in PDB 8fxq: The Crystal Sturucture of Rhizopuspepsin with A Bound Modified Peptide Inhibitor Generated By De Novo Drug Design.

Enzymatic activity of The Crystal Sturucture of Rhizopuspepsin with A Bound Modified Peptide Inhibitor Generated By De Novo Drug Design.

All present enzymatic activity of The Crystal Sturucture of Rhizopuspepsin with A Bound Modified Peptide Inhibitor Generated By De Novo Drug Design.:
3.4.23.21;

Protein crystallography data

The structure of The Crystal Sturucture of Rhizopuspepsin with A Bound Modified Peptide Inhibitor Generated By De Novo Drug Design., PDB code: 8fxq was solved by K.A.Satyshur, D.H.Rich, A.S.Ripka, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	33.56 / 1.21
*Space group*	P 2₁ 2₁ 2₁
*Cell size a, b, c (Å), α, β, γ (°)*	69.873, 71.696, 120.736, 90, 90, 90
*R / R_free (%)*	18 / 20.1

Sodium Binding Sites:

The binding sites of Sodium atom in the The Crystal Sturucture of Rhizopuspepsin with A Bound Modified Peptide Inhibitor Generated By De Novo Drug Design. (pdb code 8fxq). 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 The Crystal Sturucture of Rhizopuspepsin with A Bound Modified Peptide Inhibitor Generated By De Novo Drug Design., PDB code: 8fxq:

Sodium binding site 1 out of 1 in 8fxq

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Sodium Binding Sites List in 8fxq

Sodium binding site 1 out of 1 in the The Crystal Sturucture of Rhizopuspepsin with A Bound Modified Peptide Inhibitor Generated By De Novo Drug Design.

Mono view

Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of The Crystal Sturucture of Rhizopuspepsin with A Bound Modified Peptide Inhibitor Generated By De Novo Drug Design. within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
B:Na401 b:30.2 occ:1.00	O	B:HOH739	2.1	32.3	1.0
	O	B:PHE179	2.3	17.3	1.0
	O	B:SER176	2.4	18.8	1.0
	O	B:HOH828	2.4	30.9	1.0
	O	B:HOH816	3.0	39.7	1.0
	C	B:PHE179	3.5	15.7	1.0
	C	B:SER176	3.6	15.5	1.0
	CD1	B:PHE179	4.2	15.0	1.0
	CB	B:SER176	4.3	23.3	1.0
	N	B:LYS180	4.3	14.6	1.0
	CA	B:SER176	4.4	16.6	1.0
	CA	B:LYS180	4.4	16.5	1.0
	N	B:PHE179	4.4	12.6	1.0
	CE1	B:PHE179	4.5	21.1	1.0
	N	B:THR177	4.5	16.0	1.0
	CA	B:THR177	4.5	19.8	1.0
	CA	B:PHE179	4.5	12.9	1.0
	N	B:GLY181	4.6	23.2	1.0
	O	B:GLY181	4.7	19.3	1.0
	OG	B:SER176	4.7	22.8	1.0
	C	B:LYS180	4.8	19.0	1.0
	CG	B:PHE179	4.8	14.6	1.0
	C	B:THR177	4.8	24.6	1.0

Reference:

A.S.Ripka, K.A.Satyshur, R.S.Bohacek, D.H.Rich. Aspartic Protease Inhibitors Designed From Computer-Generated Templates Bind As Predicted. Org Lett V. 3 2309 2001.
ISSN: ISSN 1523-7060
PubMed: 11463303
DOI: 10.1021/OL016090+

Page generated: Wed Oct 9 11:58:53 2024

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