Chlorine in PDB 6jhf: Crystal Structure of Apo Pullulanase From Paenibacillus Barengoltzii

All present enzymatic activity of Crystal Structure of Apo Pullulanase From Paenibacillus Barengoltzii:
3.2.1.41;

The structure of Crystal Structure of Apo Pullulanase From Paenibacillus Barengoltzii, PDB code: 6jhf was solved by S.W.Wu, S.Q.Yang, Z.Qin, X.You, P.Huang, Z.Q.Jiang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.29 / 1.71
Space group	P 2 21 21
Cell size a, b, c (Å), α, β, γ (°)	50.395, 98.583, 142.019, 90.00, 90.00, 90.00
R / Rfree (%)	15.2 / 18.2

The structure of Crystal Structure of Apo Pullulanase From Paenibacillus Barengoltzii also contains other interesting chemical elements:

Calcium

(Ca)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of Apo Pullulanase From Paenibacillus Barengoltzii (pdb code 6jhf). 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 Apo Pullulanase From Paenibacillus Barengoltzii, PDB code: 6jhf:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Apo Pullulanase From Paenibacillus Barengoltzii


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 Apo Pullulanase From Paenibacillus Barengoltzii within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl702 b:19.1 occ:1.00 NE2 A:HIS231 2.9 13.5 1.0 NZ A:LYS179 3.0 11.9 1.0 O A:HOH997 3.0 15.2 1.0 O A:HOH1017 3.0 10.1 1.0 CE A:LYS179 3.4 12.6 1.0 O A:SER247 3.4 11.0 1.0 CE1 A:HIS231 3.5 10.9 1.0 NH1 A:ARG164 3.6 6.7 1.0 O A:HOH1376 3.7 32.5 1.0 CD1 A:LEU227 4.0 13.3 1.0 CD2 A:HIS231 4.1 8.9 1.0 CD A:LYS179 4.2 11.6 1.0 O A:HOH1106 4.2 16.6 1.0 CD2 A:LEU227 4.3 14.3 1.0 CB A:LEU227 4.3 11.6 1.0 CG A:LEU227 4.4 16.7 1.0 CZ A:ARG164 4.5 9.4 1.0 C A:SER247 4.5 9.9 1.0 O A:HOH1006 4.6 8.4 1.0 O A:GLY178 4.7 9.1 1.0 CB A:SER247 4.7 8.3 1.0 ND1 A:HIS231 4.8 10.9 1.0 O A:HOH1612 4.9 35.5 1.0 O A:LEU227 4.9 15.5 1.0 O A:LYS177 4.9 11.0 1.0 CA A:SER247 5.0 10.1 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Apo Pullulanase From Paenibacillus Barengoltzii


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 Apo Pullulanase From Paenibacillus Barengoltzii within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl703 b:14.5 occ:0.89 O A:HOH1355 2.9 23.8 1.0 O A:HOH1247 3.0 26.5 1.0 NH1 A:ARG392 3.1 9.4 1.0 NZ A:LYS389 3.2 37.4 1.0 ND2 A:ASN394 3.5 14.9 1.0 CG A:MET382 3.5 13.4 1.0 CB A:MET382 3.6 9.2 1.0 CA A:MET382 3.8 8.5 1.0 N A:MET383 3.8 9.4 1.0 CD A:ARG392 3.9 9.3 1.0 C A:MET382 4.0 8.9 1.0 O A:HOH984 4.1 16.2 1.0 CG A:LYS389 4.1 17.3 1.0 O A:MET383 4.2 10.9 1.0 CZ A:ARG392 4.3 14.7 1.0 CE A:LYS389 4.3 24.1 1.0 NE A:ARG392 4.5 10.7 1.0 CD A:LYS389 4.6 19.7 1.0 OE2 A:GLU384 4.6 21.5 1.0 C A:MET383 4.6 12.2 1.0 CG A:ASN394 4.7 8.9 1.0 O A:HOH818 4.8 35.8 1.0 CA A:MET383 4.8 10.7 1.0 OD2 A:ASP396 4.9 15.7 1.0 O A:MET382 4.9 11.1 1.0 CB A:LYS389 5.0 17.3 1.0

S.W.Wu, S.Q.Yang, Z.Qin, X.You, P.Huang, Z.Q.Jiang. Crystal Structure of Apo Pullulanase From Paenibacillus Barengoltzii To Be Published.