Sodium in PDB 7neu: Inhibitor Complex with Thrombin Activatable Fibrinolysis Inhibitor (Tafia)

Enzymatic activity of Inhibitor Complex with Thrombin Activatable Fibrinolysis Inhibitor (Tafia)

All present enzymatic activity of Inhibitor Complex with Thrombin Activatable Fibrinolysis Inhibitor (Tafia):
3.4.17.20;

Protein crystallography data

The structure of Inhibitor Complex with Thrombin Activatable Fibrinolysis Inhibitor (Tafia), PDB code: 7neu was solved by D.G.Brown, A.P.Schaffner, L.M.Vuillard, P.Gloanec, E.Raimbauld, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	42.02 / 2.80
*Space group*	C 2 2 2₁
*Cell size a, b, c (Å), α, β, γ (°)*	99.42, 157.35, 64.08, 90, 90, 90
*R / R_free (%)*	20.1 / 28.2

Other elements in 7neu:

The structure of Inhibitor Complex with Thrombin Activatable Fibrinolysis Inhibitor (Tafia) also contains other interesting chemical elements:

Zinc	(Zn)	1 atom
Chlorine	(Cl)	1 atom
Fluorine	(F)	1 atom

Sodium Binding Sites:

The binding sites of Sodium atom in the Inhibitor Complex with Thrombin Activatable Fibrinolysis Inhibitor (Tafia) (pdb code 7neu). 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 Inhibitor Complex with Thrombin Activatable Fibrinolysis Inhibitor (Tafia), PDB code: 7neu:

Sodium binding site 1 out of 1 in 7neu

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Sodium Binding Sites List in 7neu

Sodium binding site 1 out of 1 in the Inhibitor Complex with Thrombin Activatable Fibrinolysis Inhibitor (Tafia)

Mono view

Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Inhibitor Complex with Thrombin Activatable Fibrinolysis Inhibitor (Tafia) within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Na503 b:5.8 occ:1.00	HE2	A:HIS175	1.7	30.0	0.0
	NE2	A:HIS175	2.5	32.1	1.0
	CD2	A:HIS175	3.4	32.2	1.0
	HD2	A:HIS175	3.5	32.8	1.0
	CE1	A:HIS175	3.5	31.1	1.0
	HE1	A:HIS175	3.7	30.9	1.0
	HZ2	A:TRP171	3.8	30.0	1.0
	HE1	A:TRP171	3.9	29.2	1.0
	HD2	A:LYS380	4.0	34.0	1.0
	HD2	A:ARG384	4.3	32.6	1.0
	CZ2	A:TRP171	4.4	29.4	1.0
	NE1	A:TRP171	4.4	28.6	1.0
	HG3	A:LYS380	4.6	31.9	1.0
	CG	A:HIS175	4.6	31.1	1.0
	ND1	A:HIS175	4.6	30.5	1.0
	HE2	A:PHE179	4.7	34.4	1.0
	CE2	A:TRP171	4.7	28.5	1.0
	HG3	A:ARG384	4.8	30.5	1.0
	CD	A:LYS380	5.0	33.9	1.0

Reference:

A.P.Schaffner, P.Sansilvestri-Morel, N.Despaux, E.Ruano, T.Persigand, A.Rupin, P.Mennecier, M.O.Vallez, E.Raimbaud, P.Desos, P.Gloanec. Phosphinanes and Azaphosphinanes As Potent and Selective Inhibitors of Activated Thrombin-Activatable Fibrinolysis Inhibitor (Tafia). J.Med.Chem. 2021.
ISSN: ISSN 0022-2623
PubMed: 33764059
DOI: 10.1021/ACS.JMEDCHEM.0C02072

Page generated: Tue Oct 8 18:09:04 2024

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