Chlorine in PDB 4ihz: Crystal Structure of Cratabl, A Trypsin Inhibitor From Crataeva Tapia

The structure of Crystal Structure of Cratabl, A Trypsin Inhibitor From Crataeva Tapia, PDB code: 4ihz was solved by D.Zhou, A.Wlodawer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.95 / 1.50
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	114.900, 46.200, 71.500, 90.00, 103.40, 90.00
R / Rfree (%)	17.4 / 20.6

The binding sites of Chlorine atom in the Crystal Structure of Cratabl, A Trypsin Inhibitor From Crataeva Tapia (pdb code 4ihz). 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 Cratabl, A Trypsin Inhibitor From Crataeva Tapia, PDB code: 4ihz:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Cratabl, A Trypsin Inhibitor From Crataeva Tapia


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 Cratabl, A Trypsin Inhibitor From Crataeva Tapia within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl207 b:28.5 occ:1.00 ND1 A:HIS125 2.9 24.2 1.0 NH1 A:ARG134 3.2 31.7 1.0 O A:HOH513 3.2 33.7 1.0 CD A:ARG134 3.7 29.6 1.0 CD1 A:LEU97 3.8 25.7 1.0 CE1 A:HIS125 3.8 21.6 1.0 CG A:HIS125 3.8 21.3 1.0 CG A:PRO127 3.8 28.2 1.0 CG A:PRO151 3.8 20.8 1.0 CB A:PRO151 3.9 20.6 1.0 CB A:HIS125 4.0 19.9 1.0 CB A:ARG134 4.1 25.1 1.0 CG A:ARG134 4.1 27.8 1.0 CZ A:ARG134 4.2 34.0 1.0 O A:HIS125 4.3 22.1 1.0 CD A:PRO127 4.3 28.1 1.0 CG1 A:VAL88 4.3 20.6 1.0 NE A:ARG134 4.4 33.3 1.0 CG2 A:VAL88 4.6 19.3 1.0 C A:HIS125 4.6 21.6 1.0 CB A:VAL88 4.7 18.6 1.0 O A:PRO151 4.9 25.2 1.0 O A:HOH333 4.9 27.9 1.0 N A:PRO127 4.9 26.7 1.0 CA A:HIS125 4.9 20.1 1.0 NE2 A:HIS125 4.9 21.6 1.0 CD2 A:HIS125 5.0 19.9 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Cratabl, A Trypsin Inhibitor From Crataeva Tapia


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 Cratabl, A Trypsin Inhibitor From Crataeva Tapia within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl206 b:30.1 occ:1.00 ND1 B:HIS125 2.9 23.9 1.0 NH1 B:ARG134 3.1 28.0 1.0 O B:HOH381 3.3 34.7 1.0 CB B:PRO151 3.8 20.6 1.0 CG B:HIS125 3.8 20.9 1.0 CE1 B:HIS125 3.8 21.5 1.0 CD B:ARG134 3.8 24.9 1.0 CG B:PRO127 3.8 25.1 1.0 CG B:PRO151 3.8 20.6 1.0 CD1 B:LEU97 3.8 31.0 1.0 CB B:HIS125 3.9 18.3 1.0 CG B:ARG134 4.0 25.3 1.0 CD B:PRO127 4.0 23.4 1.0 CB B:ARG134 4.1 23.3 1.0 CZ B:ARG134 4.2 29.2 1.0 O B:HIS125 4.2 20.9 1.0 CG1 B:VAL88 4.4 20.9 1.0 NE B:ARG134 4.4 28.3 1.0 C B:HIS125 4.6 20.6 1.0 CG2 B:VAL88 4.6 19.3 1.0 O B:PRO151 4.7 24.1 1.0 CB B:VAL88 4.8 18.7 1.0 CA B:HIS125 4.9 19.1 1.0 N B:PRO127 4.9 23.3 1.0 NE2 B:HIS125 4.9 21.2 1.0 CD2 B:HIS125 4.9 22.3 1.0

R.D.Ferreira, D.Zhou, J.G.Ferreira, M.C.Silva, R.A.Silva-Lucca, R.Mentele, E.J.Paredes-Gamero, T.C.Bertolin, M.T.Dos Santos Correia, P.M.Paiva, A.Gustchina, A.Wlodawer, M.L.Oliva. Crystal Structure of Crataeva Tapia Bark Protein (Cratabl) and Its Effect in Human Prostate Cancer Cell Lines. Plos One V. 8 64426 2013.
ISSN: ESSN 1932-6203
PubMed: 23823708
DOI: 10.1371/JOURNAL.PONE.0064426