Sodium in PDB 1c4v: Selective Non Electrophilic Thrombin Inhibitors with Cyclohexyl Moieties.

All present enzymatic activity of Selective Non Electrophilic Thrombin Inhibitors with Cyclohexyl Moieties.:
3.4.21.5;

The structure of Selective Non Electrophilic Thrombin Inhibitors with Cyclohexyl Moieties., PDB code: 1c4v was solved by R.Krishnan, I.Mochalkin, R.K.Arni, A.Tulinsky, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	7.00 / 2.10
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	71.510, 72.020, 72.910, 90.00, 100.80, 90.00
R / Rfree (%)	n/a / n/a

The binding sites of Sodium atom in the Selective Non Electrophilic Thrombin Inhibitors with Cyclohexyl Moieties. (pdb code 1c4v). 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 Selective Non Electrophilic Thrombin Inhibitors with Cyclohexyl Moieties., PDB code: 1c4v:

Sodium binding site 1 out of 1 in the Selective Non Electrophilic Thrombin Inhibitors with Cyclohexyl Moieties.


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Selective Non Electrophilic Thrombin Inhibitors with Cyclohexyl Moieties. within 5.0Å range: probe atom residue distance (Å) B Occ 2:Na504 b:15.2 occ:0.71 OD1 2:ASP221 3.3 27.4 1.0 O 2:HOH486 3.4 21.4 0.7 NH1 2:ARG187 3.5 31.5 1.0 O 2:HOH465 3.5 10.0 0.7 OD2 2:ASP222 3.6 37.0 1.0 O 2:ARG221A 3.7 28.8 1.0 O 2:HOH417 3.9 17.0 0.8 O 2:LYS224 3.9 26.0 1.0 C 2:ASP221 4.1 25.6 1.0 CG 2:ASP221 4.2 25.4 1.0 O 2:TYR184A 4.2 23.2 1.0 O 2:ASP221 4.3 26.6 1.0 C 2:ARG221A 4.3 27.3 1.0 CA 2:ASP221 4.3 24.8 1.0 CZ 2:ARG187 4.4 31.9 1.0 N 2:ARG221A 4.4 26.0 1.0 N 2:ASP222 4.5 26.9 1.0 CA 2:ASP222 4.5 26.5 1.0 NH2 2:ARG187 4.6 34.2 1.0 O 2:LYS186D 4.9 29.7 1.0 CG 2:ASP222 4.9 33.3 1.0 CB 2:ASP221 4.9 24.0 1.0 CA 2:ARG221A 4.9 27.3 1.0 OD2 2:ASP221 5.0 22.7 1.0 O 2:GLY188 5.0 24.7 1.0

R.Krishnan, I.Mochalkin, R.Arni, A.Tulinsky. Structure of Thrombin Complexed with Selective Non-Electrophilic Inhibitors Having Cyclohexyl Moieties at P1. Acta Crystallogr.,Sect.D V. 56 294 2000.
ISSN: ISSN 0907-4449
PubMed: 10713516
DOI: 10.1107/S0907444900000068