Potassium in PDB 4hx2: Crystal Structure of Streptomyces Caespitosus Sermetstatin in Complex with Bacillus Licheniformis Subtilisin

Enzymatic activity of Crystal Structure of Streptomyces Caespitosus Sermetstatin in Complex with Bacillus Licheniformis Subtilisin

All present enzymatic activity of Crystal Structure of Streptomyces Caespitosus Sermetstatin in Complex with Bacillus Licheniformis Subtilisin:
3.4.21.62;

Protein crystallography data

The structure of Crystal Structure of Streptomyces Caespitosus Sermetstatin in Complex with Bacillus Licheniformis Subtilisin, PDB code: 4hx2 was solved by S.Trillo-Muyo, S.Martinez-Rodriguez, J.L.Arolas, F.X.Gomis-Ruth, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	32.94 / 2.25
*Space group*	C 1 2 1
*Cell size a, b, c (Å), α, β, γ (°)*	183.969, 83.624, 77.617, 90.00, 110.78, 90.00
*R / R_free (%)*	17.7 / 21.7

Other elements in 4hx2:

The structure of Crystal Structure of Streptomyces Caespitosus Sermetstatin in Complex with Bacillus Licheniformis Subtilisin also contains other interesting chemical elements:

Zinc	(Zn)	2 atoms
Arsenic	(As)	1 atom
Calcium	(Ca)	4 atoms
Chlorine	(Cl)	1 atom

Potassium Binding Sites:

The binding sites of Potassium atom in the Crystal Structure of Streptomyces Caespitosus Sermetstatin in Complex with Bacillus Licheniformis Subtilisin (pdb code 4hx2). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 2 binding sites of Potassium where determined in the Crystal Structure of Streptomyces Caespitosus Sermetstatin in Complex with Bacillus Licheniformis Subtilisin, PDB code: 4hx2:
Jump to Potassium binding site number: 1; 2;

Potassium binding site 1 out of 2 in 4hx2

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Potassium Binding Sites List in 4hx2

Potassium binding site 1 out of 2 in the Crystal Structure of Streptomyces Caespitosus Sermetstatin in Complex with Bacillus Licheniformis Subtilisin

Mono view

Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Crystal Structure of Streptomyces Caespitosus Sermetstatin in Complex with Bacillus Licheniformis Subtilisin within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
B:K502 b:90.5 occ:1.00	NE2	B:HIS93	3.0	49.2	1.0
	O	B:HOH652	3.1	76.2	1.0
	ND2	B:ASN104	3.2	78.8	1.0
	CE1	B:HIS93	3.5	49.4	1.0
	CD2	B:HIS93	4.1	48.9	1.0
	CG	B:ASN104	4.4	84.9	1.0
	CE1	B:PHE95	4.4	45.8	1.0
	CD1	B:PHE95	4.5	44.3	1.0
	ND1	B:HIS93	4.6	49.9	1.0
	O	B:HOH605	4.8	52.2	1.0
	CD1	B:LEU60	4.9	50.1	1.0
	CG	B:HIS93	5.0	46.6	1.0
	O	B:HOH653	5.0	57.8	1.0
	CB	B:ASN104	5.0	54.0	1.0

Potassium binding site 2 out of 2 in 4hx2

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Potassium Binding Sites List in 4hx2

Potassium binding site 2 out of 2 in the Crystal Structure of Streptomyces Caespitosus Sermetstatin in Complex with Bacillus Licheniformis Subtilisin

Mono view

Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of Crystal Structure of Streptomyces Caespitosus Sermetstatin in Complex with Bacillus Licheniformis Subtilisin within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
B:K503 b:89.4 occ:1.00	ND1	B:HIS93	2.8	49.9	1.0
	O	B:HOH629	2.9	54.6	1.0
	CE1	B:HIS93	3.5	49.4	1.0
	O	B:LYS92	3.8	42.9	1.0
	CG	B:HIS93	3.8	46.6	1.0
	CB	B:HIS93	4.2	40.8	1.0
	CA	B:HIS93	4.2	39.8	1.0
	OD1	B:ASN57	4.3	51.3	1.0
	NE2	B:HIS93	4.6	49.2	1.0
	C	B:LYS92	4.8	43.2	1.0
	CD2	B:HIS93	4.8	48.9	1.0
	N	B:HIS93	5.0	40.3	1.0

Reference:

S.Trillo-Muyo, S.Martinez-Rodriguez, J.L.Arolas, F.X.Gomis-Ruth. Mechanism of Action of A Janus-Faced Single-Domain Protein Inhibitor Simultaneously Targeting Two Peptidase Classes Chem Sci V. 4 791 2013.
ISSN: ISSN 2041-6520
DOI: 10.1039/C2SC21712K

Page generated: Mon Aug 12 10:56:06 2024

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