Chlorine in PDB 2aer: Crystal Structure of Benzamidine-Factor Viia/Soluble Tissue Factor Complex.

All present enzymatic activity of Crystal Structure of Benzamidine-Factor Viia/Soluble Tissue Factor Complex.:
3.4.21.21;

The structure of Crystal Structure of Benzamidine-Factor Viia/Soluble Tissue Factor Complex., PDB code: 2aer was solved by S.P.Bajaj, A.E.Schmidt, K.Padmanabhan, M.S.Bajaj, A.Liesum, J.Dumas, D.Prevost, H.Schreuder, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 1.87
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	69.900, 81.200, 125.900, 90.00, 90.00, 90.00
R / Rfree (%)	19.1 / 25.6

The structure of Crystal Structure of Benzamidine-Factor Viia/Soluble Tissue Factor Complex. also contains other interesting chemical elements:

Magnesium	(Mg)	3 atoms
Zinc	(Zn)	2 atoms
Calcium	(Ca)	6 atoms
Sodium	(Na)	1 atom

The binding sites of Chlorine atom in the Crystal Structure of Benzamidine-Factor Viia/Soluble Tissue Factor Complex. (pdb code 2aer). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Benzamidine-Factor Viia/Soluble Tissue Factor Complex., PDB code: 2aer:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of Benzamidine-Factor Viia/Soluble Tissue Factor Complex.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Benzamidine-Factor Viia/Soluble Tissue Factor Complex. within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl3013 b:43.7 occ:1.00 O H:HOH3317 2.5 51.7 1.0 CE H:LYS192 3.0 29.3 1.0 O H:GLY219 3.2 14.9 1.0 O H:HOH3264 3.4 27.7 1.0 C3 H:BEN1001 3.4 12.8 1.0 C2 H:BEN1001 3.4 10.8 1.0 N H:GLY219 3.4 17.2 1.0 NZ H:LYS192 3.4 28.4 1.0 CA H:GLY219 3.4 16.6 1.0 O H:GLY216 3.5 16.5 1.0 C H:GLY219 3.6 14.9 1.0 CD H:LYS192 3.8 26.8 1.0 O H:HOH3190 3.9 21.8 1.0 CG H:LYS192 4.2 23.2 1.0 C H:GLY216 4.3 15.3 1.0 SG H:CYS220 4.4 17.7 1.0 C H:GLN217 4.5 18.1 1.0 N H:CYS220 4.7 15.2 1.0 C4 H:BEN1001 4.7 12.4 1.0 C1 H:BEN1001 4.7 12.0 1.0 N1 H:BEN1001 4.9 11.0 1.0 N H:GLY216 4.9 13.4 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of Benzamidine-Factor Viia/Soluble Tissue Factor Complex.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Benzamidine-Factor Viia/Soluble Tissue Factor Complex. within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl3014 b:18.4 occ:1.00 N H:ARG84 3.2 15.1 1.0 O H:HOH3327 3.4 40.8 1.0 O H:HOH3342 3.4 59.0 1.0 O H:HOH3187 3.6 19.9 1.0 CG H:ARG84 3.7 25.4 1.0 CD H:ARG83 3.7 12.1 1.0 CB H:HIS109 3.8 16.0 1.0 CA H:ARG83 3.8 12.4 1.0 CD2 H:HIS109 3.8 22.1 1.0 CB H:ARG84 3.9 19.2 1.0 CG H:GLN110 3.9 12.6 1.0 C H:ARG83 4.0 13.7 1.0 CB H:GLN110 4.1 12.2 1.0 N H:GLN110 4.1 12.8 1.0 CA H:ARG84 4.1 16.7 1.0 CG H:HIS109 4.2 20.5 1.0 CB H:ARG83 4.2 12.9 1.0 NE H:ARG84 4.4 38.8 1.0 O H:ARG84 4.6 14.8 1.0 CD H:ARG84 4.6 31.9 1.0 C H:HIS109 4.6 13.6 1.0 CG H:ARG83 4.6 12.8 1.0 CA H:HIS109 4.6 13.8 1.0 CA H:GLN110 4.7 12.5 1.0 O H:SER82 4.8 11.8 1.0 N H:HIS109 4.9 13.2 1.0 C H:ARG84 4.9 15.1 1.0 NE H:ARG83 4.9 12.1 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of Benzamidine-Factor Viia/Soluble Tissue Factor Complex.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Benzamidine-Factor Viia/Soluble Tissue Factor Complex. within 5.0Å range: probe atom residue distance (Å) B Occ T:Cl3015 b:17.3 occ:1.00 OH T:TYR153 3.0 16.4 1.0 N T:GLU130 3.2 19.4 1.0 ND2 T:ASN173 3.4 16.3 1.0 O T:HOH3110 3.4 41.6 1.0 N T:ARG144 3.5 16.6 1.0 CA T:ASP129 3.7 19.9 1.0 N T:LEU143 3.7 15.8 1.0 CB T:SER142 3.9 16.6 1.0 CB T:ARG144 3.9 15.8 1.0 C T:ASP129 3.9 19.2 1.0 CB T:LEU143 4.0 16.9 1.0 CZ T:TYR153 4.0 17.9 1.0 OD1 T:ASN173 4.0 16.8 1.0 OG T:SER142 4.0 17.9 1.0 CE2 T:TYR153 4.0 17.2 1.0 CG T:ASN173 4.1 17.1 1.0 CA T:GLU130 4.2 20.7 1.0 CA T:LEU143 4.2 16.8 1.0 O T:GLU130 4.2 20.7 1.0 CB T:GLU130 4.2 21.0 1.0 CB T:ASP129 4.3 22.3 1.0 CA T:ARG144 4.3 16.7 1.0 C T:LEU143 4.3 16.2 1.0 CD2 T:LEU151 4.4 13.1 1.0 OD1 T:ASP129 4.6 24.4 1.0 C T:SER142 4.6 16.1 1.0 C T:GLU130 4.7 21.2 1.0 O T:GLU128 4.7 18.5 1.0 CA T:SER142 4.7 16.9 1.0 O T:HOH3173 4.9 45.1 1.0 N T:ASP129 4.9 18.6 1.0 CG T:ASP129 4.9 23.7 1.0

S.P.Bajaj, A.E.Schmidt, S.Agah, M.S.Bajaj, K.Padmanabhan. High Resolution Structures of P-Aminobenzamidine- and Benzamidine-Viia/Soluble Tissue Factor: Unpredicted Conformation of the 192-193 Peptide Bond and Mapping of CA2+, MG2+, Na+ and ZN2+ Sites in Factor Viia J.Biol.Chem. V. 281 24873 2006.
ISSN: ISSN 0021-9258
PubMed: 16757484
DOI: 10.1074/JBC.M509971200