Chlorine in PDB 9fnl: The Structure of CBM42 From Clostridium Thermocellum in Complex with Arabinofuranosyl Xylobiose (A3X) Substrate Molecules

The structure of The Structure of CBM42 From Clostridium Thermocellum in Complex with Arabinofuranosyl Xylobiose (A3X) Substrate Molecules, PDB code: 9fnl was solved by N.Hadad, N.Lavid, Y.Shoham, G.Shoham, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.93 / 2.10
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	55.169, 76.283, 77.766, 91.12, 110.66, 99.46
R / Rfree (%)	16.4 / 21.2

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 15;

Binding sites:

The binding sites of Chlorine atom in the The Structure of CBM42 From Clostridium Thermocellum in Complex with Arabinofuranosyl Xylobiose (A3X) Substrate Molecules (pdb code 9fnl). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 15 binding sites of Chlorine where determined in the The Structure of CBM42 From Clostridium Thermocellum in Complex with Arabinofuranosyl Xylobiose (A3X) Substrate Molecules, PDB code: 9fnl:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 15 in the The Structure of CBM42 From Clostridium Thermocellum in Complex with Arabinofuranosyl Xylobiose (A3X) Substrate Molecules


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Structure of CBM42 From Clostridium Thermocellum in Complex with Arabinofuranosyl Xylobiose (A3X) Substrate Molecules within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:50.2 occ:1.00 N A:MET1 2.3 25.0 1.0 CA A:MET1 3.0 27.4 1.0 CG2 A:VAL134 3.2 35.5 1.0 N A:VAL134 3.3 29.3 1.0 CE A:LYS133 3.3 52.2 1.0 NZ A:LYS133 3.3 60.0 1.0 O A:VAL134 3.4 45.3 1.0 CG A:MET1 3.6 36.3 1.0 CD A:LYS133 3.7 50.6 1.0 CB A:MET1 3.8 24.4 1.0 CA A:VAL134 4.1 35.4 1.0 CA A:LYS133 4.1 30.3 1.0 C A:VAL134 4.2 43.1 1.0 C A:LYS133 4.2 29.8 1.0 C A:MET1 4.2 27.6 1.0 CB A:VAL134 4.2 36.0 1.0 CG A:LYS133 4.3 47.1 1.0 O A:HOH399 4.4 34.1 1.0 O A:PHE34 4.4 26.0 1.0 O A:ILE132 4.5 28.8 1.0 CB A:LYS133 4.8 34.1 1.0 O A:MET1 4.8 24.1 1.0 N A:LYS2 4.9 21.1 1.0

Chlorine binding site 2 out of 15 in the The Structure of CBM42 From Clostridium Thermocellum in Complex with Arabinofuranosyl Xylobiose (A3X) Substrate Molecules


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Structure of CBM42 From Clostridium Thermocellum in Complex with Arabinofuranosyl Xylobiose (A3X) Substrate Molecules within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl201 b:45.7 occ:1.00 O B:HOH387 2.2 45.0 1.0 N B:MET1 2.2 31.0 1.0 CA B:MET1 2.9 32.0 1.0 N B:VAL134 3.1 37.2 1.0 CE B:LYS133 3.2 59.6 1.0 CG B:MET1 3.5 38.7 1.0 O B:VAL134 3.6 49.2 1.0 CD B:LYS133 3.8 58.3 1.0 CB B:MET1 3.8 31.6 1.0 CB B:VAL134 3.8 42.6 1.0 CA B:VAL134 3.9 45.7 1.0 CA B:LYS133 4.0 37.5 1.0 C B:LYS133 4.0 42.7 1.0 NZ B:LYS133 4.1 62.9 1.0 C B:MET1 4.2 31.6 1.0 C B:VAL134 4.2 49.9 1.0 CG B:LYS133 4.3 52.6 1.0 O B:ILE132 4.5 32.5 1.0 O B:HOH397 4.5 32.8 1.0 O B:PHE34 4.5 28.1 1.0 CB B:LYS133 4.7 45.7 1.0 CG1 B:VAL134 4.7 44.9 1.0 CG2 B:VAL134 4.8 45.7 1.0 O B:MET1 4.8 29.5 1.0 N B:LYS2 4.9 24.6 1.0 O B:HOH317 4.9 52.7 1.0 O B:HOH409 5.0 45.8 1.0

Chlorine binding site 3 out of 15 in the The Structure of CBM42 From Clostridium Thermocellum in Complex with Arabinofuranosyl Xylobiose (A3X) Substrate Molecules


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of The Structure of CBM42 From Clostridium Thermocellum in Complex with Arabinofuranosyl Xylobiose (A3X) Substrate Molecules within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl202 b:69.0 occ:1.00 CG B:LYS35 3.5 38.2 1.0 O B:HOH387 3.5 45.0 1.0 O B:HOH397 3.7 32.8 1.0 CB B:LYS35 4.3 31.0 1.0 CD B:LYS35 4.4 43.2 1.0 CE B:LYS35 4.4 47.4 1.0 CA B:LYS35 4.6 27.3 1.0 NZ B:LYS133 4.9 62.9 1.0

Chlorine binding site 4 out of 15 in the The Structure of CBM42 From Clostridium Thermocellum in Complex with Arabinofuranosyl Xylobiose (A3X) Substrate Molecules


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of The Structure of CBM42 From Clostridium Thermocellum in Complex with Arabinofuranosyl Xylobiose (A3X) Substrate Molecules within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl203 b:70.3 occ:1.00 O B:HOH447 2.4 54.8 1.0 SD B:MET1 4.2 58.2 1.0 O B:HOH446 4.3 64.4 1.0 CG2 B:VAL84 4.5 23.1 1.0 CE B:MET1 4.8 41.0 1.0 CG1 B:VAL84 4.9 27.3 1.0 CD1 B:ILE94 4.9 25.1 1.0 O B:HOH435 4.9 50.8 1.0 CG2 B:ILE36 4.9 24.0 1.0

Chlorine binding site 5 out of 15 in the The Structure of CBM42 From Clostridium Thermocellum in Complex with Arabinofuranosyl Xylobiose (A3X) Substrate Molecules


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of The Structure of CBM42 From Clostridium Thermocellum in Complex with Arabinofuranosyl Xylobiose (A3X) Substrate Molecules within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl204 b:60.2 occ:1.00 O B:HOH404 2.4 38.2 1.0 O B:PRO86 3.2 22.7 1.0 O B:HOH444 3.8 51.1 1.0 O B:HOH442 4.1 49.0 1.0 CG2 B:VAL85 4.2 26.3 1.0 C B:PRO86 4.3 27.0 1.0 CD2 B:TRP88 4.3 29.4 1.0 CE2 B:TRP88 4.4 29.8 1.0 CB B:VAL85 4.5 22.3 1.0 CG B:TRP88 4.6 27.7 1.0 NE1 B:TRP88 4.6 29.1 1.0 CA B:TRP88 4.7 27.0 1.0 CE3 B:TRP88 4.7 35.4 1.0 N B:TRP88 4.7 28.0 1.0 CZ2 B:TRP88 4.7 31.9 1.0 CD1 B:TRP88 4.8 27.6 1.0 C B:GLY87 4.8 27.5 1.0 N B:PRO86 4.8 26.0 1.0 O B:GLY87 4.8 26.0 1.0 CD B:PRO86 4.8 29.6 1.0 CB B:PRO86 5.0 28.7 1.0 CA B:PRO86 5.0 27.9 1.0 CZ3 B:TRP88 5.0 40.0 1.0

Chlorine binding site 6 out of 15 in the The Structure of CBM42 From Clostridium Thermocellum in Complex with Arabinofuranosyl Xylobiose (A3X) Substrate Molecules


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of The Structure of CBM42 From Clostridium Thermocellum in Complex with Arabinofuranosyl Xylobiose (A3X) Substrate Molecules within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl201 b:52.1 occ:1.00 O C:HOH317 2.4 43.0 1.0 N C:MET1 2.4 31.7 1.0 CA C:MET1 3.0 26.0 1.0 N C:VAL134 3.1 36.2 1.0 CG1 C:VAL134 3.3 40.5 1.0 CE C:LYS133 3.3 60.9 1.0 O C:VAL134 3.3 51.3 1.0 NZ C:LYS133 3.5 61.5 1.0 CG C:MET1 3.6 37.9 1.0 CB C:MET1 3.9 29.8 1.0 CA C:LYS133 4.0 33.8 1.0 CA C:VAL134 4.0 38.7 1.0 C C:LYS133 4.0 32.7 1.0 CD C:LYS133 4.1 57.8 1.0 C C:VAL134 4.1 45.9 1.0 CG C:LYS133 4.1 48.4 1.0 CB C:VAL134 4.2 40.3 1.0 C C:MET1 4.3 26.8 1.0 O C:ILE132 4.5 30.9 1.0 CB C:LYS133 4.6 36.2 1.0 O C:PHE34 4.7 29.5 1.0 O C:HOH389 4.7 36.2 1.0 O C:MET1 5.0 25.9 1.0

Chlorine binding site 7 out of 15 in the The Structure of CBM42 From Clostridium Thermocellum in Complex with Arabinofuranosyl Xylobiose (A3X) Substrate Molecules


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of The Structure of CBM42 From Clostridium Thermocellum in Complex with Arabinofuranosyl Xylobiose (A3X) Substrate Molecules within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl202 b:66.5 occ:1.00 CG2 C:VAL84 4.2 24.7 1.0 SD C:MET1 4.5 42.5 1.0 CG2 C:ILE46 4.6 25.4 1.0 CG2 C:ILE36 4.6 28.1 1.0 CD1 C:ILE46 4.8 26.3 1.0 CG1 C:VAL84 4.9 20.6 1.0 CB C:VAL84 5.0 24.1 1.0

Chlorine binding site 8 out of 15 in the The Structure of CBM42 From Clostridium Thermocellum in Complex with Arabinofuranosyl Xylobiose (A3X) Substrate Molecules


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of The Structure of CBM42 From Clostridium Thermocellum in Complex with Arabinofuranosyl Xylobiose (A3X) Substrate Molecules within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl203 b:59.0 occ:1.00 O C:HOH373 3.3 40.7 1.0 O C:PRO86 3.3 22.9 1.0 CG2 C:VAL85 4.0 19.3 1.0 CE2 C:TRP88 4.2 25.2 1.0 CD2 C:TRP88 4.2 26.8 1.0 C C:PRO86 4.4 22.8 1.0 NE1 C:TRP88 4.4 24.0 1.0 CZ2 C:TRP88 4.5 29.5 1.0 CB C:VAL85 4.5 20.3 1.0 CG C:TRP88 4.5 22.3 1.0 CE3 C:TRP88 4.6 30.1 1.0 CD1 C:TRP88 4.6 21.8 1.0 O C:HOH355 4.7 37.1 1.0 CA C:TRP88 4.8 24.4 1.0 N C:TRP88 4.8 24.6 1.0 CH2 C:TRP88 4.8 33.8 1.0 CZ3 C:TRP88 4.9 31.7 1.0 N C:PRO86 4.9 26.9 1.0 C C:GLY87 4.9 26.0 1.0 CD C:PRO86 5.0 29.7 1.0 CB C:PRO86 5.0 27.6 1.0 O C:GLY87 5.0 26.6 1.0

Chlorine binding site 9 out of 15 in the The Structure of CBM42 From Clostridium Thermocellum in Complex with Arabinofuranosyl Xylobiose (A3X) Substrate Molecules


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of The Structure of CBM42 From Clostridium Thermocellum in Complex with Arabinofuranosyl Xylobiose (A3X) Substrate Molecules within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl201 b:51.2 occ:1.00 N D:MET1 2.2 29.8 1.0 CA D:MET1 3.0 29.8 1.0 N D:VAL134 3.3 38.1 1.0 CG D:MET1 3.5 39.8 1.0 CB D:MET1 3.8 32.1 1.0 CB D:VAL134 3.9 45.9 1.0 O D:VAL134 4.0 55.8 1.0 CA D:VAL134 4.0 47.4 1.0 O D:HOH402 4.1 31.3 1.0 CG D:LYS133 4.2 52.6 1.0 CA D:LYS133 4.2 36.4 1.0 C D:LYS133 4.2 38.6 1.0 C D:MET1 4.3 31.3 1.0 O D:PHE34 4.4 28.3 1.0 C D:VAL134 4.5 50.3 1.0 CG2 D:VAL134 4.5 45.5 1.0 CB D:LYS133 4.7 44.1 1.0 O D:HOH438 4.8 42.9 1.0 O D:ILE132 4.8 33.9 1.0 O D:MET1 4.8 27.7 1.0 CG1 D:VAL134 5.0 49.0 1.0

Chlorine binding site 10 out of 15 in the The Structure of CBM42 From Clostridium Thermocellum in Complex with Arabinofuranosyl Xylobiose (A3X) Substrate Molecules


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of The Structure of CBM42 From Clostridium Thermocellum in Complex with Arabinofuranosyl Xylobiose (A3X) Substrate Molecules within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl202 b:61.2 occ:1.00 O D:HOH397 2.7 39.2 1.0 O D:PRO86 3.4 24.3 1.0 CD2 D:TRP88 4.1 26.7 1.0 O D:HOH317 4.2 38.9 1.0 CE2 D:TRP88 4.2 28.0 1.0 CG2 D:VAL85 4.3 22.4 1.0 CE3 D:TRP88 4.3 32.9 1.0 CG D:TRP88 4.4 27.6 1.0 CA D:TRP88 4.5 24.5 1.0 C D:PRO86 4.5 31.0 1.0 NE1 D:TRP88 4.6 29.7 1.0 CZ2 D:TRP88 4.6 29.8 1.0 N D:TRP88 4.6 25.0 1.0 CZ3 D:TRP88 4.7 39.1 1.0 CD1 D:TRP88 4.7 29.4 1.0 CH2 D:TRP88 4.8 36.3 1.0 O D:GLY87 4.8 32.5 1.0 C D:GLY87 4.8 30.3 1.0 CB D:VAL85 4.9 21.5 1.0

N.Hadad, N.Lavid, Y.Shoham, G.Shoham. The Structure of CBM42 From Clostridium Thermocellum in Complex with Arabinofuranosyl Xylobiose (A3X) Substrate Molecules To Be Published.