Chlorine in PDB 3k1n: Crystal Structure of Full-Length Benm

The structure of Crystal Structure of Full-Length Benm, PDB code: 3k1n was solved by A.Ruangprasert, C.Momany, E.L.Neidle, S.H.Craven, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.04 / 2.99
Space group	P 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	70.240, 70.100, 187.870, 90.00, 90.00, 90.00
R / Rfree (%)	15.5 / 18

The binding sites of Chlorine atom in the Crystal Structure of Full-Length Benm (pdb code 3k1n). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Full-Length Benm, PDB code: 3k1n:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Full-Length Benm


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 Full-Length Benm within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl314 b:81.3 occ:1.00 NH1 A:ARG160 2.8 28.0 1.0 C2 A:IMD313 2.9 81.5 1.0 N1 A:IMD313 3.0 81.9 1.0 CD A:ARG160 3.2 26.9 1.0 CZ A:ARG160 3.3 29.4 1.0 NE A:ARG160 3.5 29.1 1.0 O A:HOH352 3.5 2.0 1.0 N A:LEU104 3.7 21.4 1.0 CD1 A:ILE269 3.8 24.8 1.0 CG A:LEU104 3.8 12.8 1.0 CD1 A:LEU104 4.1 12.3 1.0 CA A:GLY103 4.1 20.2 1.0 CB A:LEU104 4.2 13.7 1.0 N3 A:IMD313 4.3 82.0 1.0 NH2 A:ARG160 4.3 29.8 1.0 C5 A:IMD313 4.4 82.4 1.0 CG A:ARG160 4.5 25.2 1.0 C A:GLY103 4.5 23.5 1.0 CA A:LEU104 4.6 18.0 1.0 OH A:TYR293 4.7 16.2 1.0 OE2 A:GLU162 4.7 24.3 1.0 O A:HOH470 4.8 17.5 1.0 CD A:GLU162 4.9 25.0 1.0 OE1 A:GLU162 5.0 24.4 1.0 C4 A:IMD313 5.0 82.3 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Full-Length Benm


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 Full-Length Benm within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl314 b:53.8 occ:1.00 NH1 B:ARG160 2.7 7.7 1.0 C2 B:IMD313 2.8 59.0 1.0 N3 B:IMD313 3.0 59.4 1.0 N B:LEU104 3.0 13.2 1.0 CA B:GLY103 3.7 9.5 1.0 CD1 B:ILE269 3.7 15.5 1.0 CB B:LEU104 3.7 12.7 1.0 C B:GLY103 3.9 14.2 1.0 CA B:LEU104 3.9 13.4 1.0 CD1 B:LEU104 4.0 11.6 1.0 CZ B:ARG160 4.0 9.2 1.0 CG B:LEU104 4.0 11.7 1.0 N1 B:IMD313 4.1 59.4 1.0 C4 B:IMD313 4.3 59.7 1.0 N B:LEU105 4.5 13.3 1.0 CD B:ARG160 4.7 9.5 1.0 CD2 B:LEU100 4.7 21.9 1.0 C B:LEU104 4.7 11.3 1.0 N B:GLY103 4.8 5.8 1.0 NE B:ARG160 4.8 9.7 1.0 C5 B:IMD313 4.8 59.5 1.0 OH B:TYR293 4.9 16.3 1.0 NH2 B:ARG160 4.9 10.2 1.0

A.Ruangprasert, S.H.Craven, E.L.Neidle, C.Momany. Structure of Full-Length Benm To Be Published.