Chlorine in PDB 4gi5: Crystal Structure of A Putative Quinone Reductase From Klebsiella Pneumoniae (Target Psi-013613)

The structure of Crystal Structure of A Putative Quinone Reductase From Klebsiella Pneumoniae (Target Psi-013613), PDB code: 4gi5 was solved by P.R.Kumar, M.Ahmed, N.Banu, R.Bhosle, J.Bonanno, S.Chamala, S.Chowdhury, A.Gizzi, S.Glen, J.Hammonds, B.Hillerich, J.D.Love, R.Seidel, M.Stead, R.Toro, E.Washington, S.C.Almo, New York Structural Genomics Researchconsortium (Nysgrc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.69 / 1.75
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	85.834, 106.573, 109.326, 90.00, 90.00, 90.00
R / Rfree (%)	14.4 / 16.3

The binding sites of Chlorine atom in the Crystal Structure of A Putative Quinone Reductase From Klebsiella Pneumoniae (Target Psi-013613) (pdb code 4gi5). 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 A Putative Quinone Reductase From Klebsiella Pneumoniae (Target Psi-013613), PDB code: 4gi5:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of A Putative Quinone Reductase From Klebsiella Pneumoniae (Target Psi-013613)


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 A Putative Quinone Reductase From Klebsiella Pneumoniae (Target Psi-013613) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl304 b:29.7 occ:1.00 O A:HOH536 2.9 38.6 1.0 NH1 A:ARG243 3.3 24.4 1.0 N A:GLU245 3.4 23.1 1.0 CG A:ARG243 3.6 20.3 1.0 CG A:GLU245 3.6 39.2 1.0 CD A:ARG243 3.6 20.1 1.0 CB A:GLU245 3.6 30.1 1.0 CB A:ARG243 3.7 19.7 1.0 N A:PRO244 3.7 21.2 1.0 CD A:PRO244 3.7 23.4 1.0 CD A:GLU245 3.8 52.3 1.0 CG A:PRO244 4.0 26.7 1.0 C A:ARG243 4.0 16.8 1.0 CA A:GLU245 4.1 22.7 1.0 OE1 A:GLU245 4.2 61.2 1.0 OE2 A:GLU245 4.2 70.3 1.0 CZ A:ARG243 4.3 19.9 1.0 C A:PRO244 4.3 21.4 1.0 CA A:ARG243 4.4 18.6 1.0 NE A:ARG243 4.4 20.4 1.0 CA A:PRO244 4.4 23.2 1.0 O A:ARG243 4.6 17.5 1.0 CB A:PRO244 4.8 25.7 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of A Putative Quinone Reductase From Klebsiella Pneumoniae (Target Psi-013613)


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 A Putative Quinone Reductase From Klebsiella Pneumoniae (Target Psi-013613) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl305 b:29.6 occ:1.00 OH A:TYR183 3.0 17.7 1.0 O A:HOH590 3.0 48.3 1.0 O A:HOH485 3.1 29.5 1.0 O A:HOH528 3.1 32.2 1.0 N A:GLY124 3.2 24.4 1.0 CD A:ARG136 3.8 15.4 1.0 CB A:TYR123 3.8 19.0 1.0 CA A:TYR123 3.9 20.4 1.0 CZ A:TYR183 3.9 16.4 1.0 CE1 A:TYR183 4.0 14.6 1.0 C A:TYR123 4.0 22.7 1.0 CA A:GLY124 4.1 23.6 1.0 NH1 A:ARG136 4.3 18.9 1.0 CB A:ARG136 4.3 15.9 1.0 CG A:ARG136 4.4 15.6 1.0 NE A:ARG136 4.6 14.9 1.0 N A:VAL125 4.6 29.5 1.0 CA A:GLY134 4.6 22.6 1.0 C A:GLY124 4.8 32.6 1.0 CZ A:ARG136 4.8 19.1 1.0 O A:VAL125 4.9 29.5 1.0 CG A:TYR123 4.9 20.5 1.0 CD2 A:TYR123 5.0 23.6 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of A Putative Quinone Reductase From Klebsiella Pneumoniae (Target Psi-013613)


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 A Putative Quinone Reductase From Klebsiella Pneumoniae (Target Psi-013613) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl306 b:28.2 occ:1.00 OH B:TYR183 2.9 14.0 1.0 O B:HOH439 3.0 23.5 1.0 O B:HOH554 3.1 31.6 1.0 N B:GLY124 3.2 17.1 1.0 O B:HOH498 3.3 27.0 1.0 CD B:ARG136 3.9 15.6 1.0 CB B:TYR123 3.9 15.8 1.0 CZ B:TYR183 3.9 12.0 1.0 CA B:TYR123 3.9 15.9 1.0 CE1 B:TYR183 4.0 13.5 1.0 C B:TYR123 4.1 17.4 1.0 CA B:GLY124 4.1 18.3 1.0 NH1 B:ARG136 4.2 19.0 1.0 CB B:ARG136 4.5 14.8 1.0 N B:VAL125 4.5 19.2 1.0 CG B:ARG136 4.6 14.5 1.0 NE B:ARG136 4.7 17.3 1.0 C B:GLY124 4.8 20.4 1.0 O B:VAL125 4.8 20.9 1.0 CZ B:ARG136 4.8 19.8 1.0 CD2 B:TYR123 4.9 20.7 1.0 CA B:GLY134 4.9 16.3 1.0 CG B:TYR123 4.9 16.2 1.0

P.R.Kumar, B.Hillerich, J.Love, R.Seidel, S.C.Almo. Crystal Structure of A Quinone Reductase From Klebsiella Pneumoniae with Bound Fad To Be Published.