Chlorine in PDB 3bpk: Crystal Structure of Nitrilotriacetate Monooxygenase Component B From Bacillus Cereus

The structure of Crystal Structure of Nitrilotriacetate Monooxygenase Component B From Bacillus Cereus, PDB code: 3bpk was solved by J.Osipiuk, P.Quartey, J.Abdullah, A.Joachimiak, Midwest Center Forstructural Genomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.70 / 1.56
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	76.807, 76.807, 295.788, 90.00, 90.00, 120.00
R / Rfree (%)	15.3 / 18.7

The binding sites of Chlorine atom in the Crystal Structure of Nitrilotriacetate Monooxygenase Component B From Bacillus Cereus (pdb code 3bpk). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Nitrilotriacetate Monooxygenase Component B From Bacillus Cereus, PDB code: 3bpk:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of Nitrilotriacetate Monooxygenase Component B From Bacillus Cereus


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 Nitrilotriacetate Monooxygenase Component B From Bacillus Cereus within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl604 b:31.2 occ:1.00 N A:SER118 3.1 21.9 1.0 O A:HOH676 3.2 43.5 1.0 O A:HOH740 3.2 45.1 1.0 O A:HOH818 3.3 50.0 1.0 C A:SER122 3.5 22.7 1.0 N A:PRO124 3.5 21.6 1.0 CA A:GLU117 3.5 24.5 0.6 CA A:GLU117 3.6 23.7 0.4 O A:SER122 3.6 25.7 1.0 C A:VAL123 3.6 20.8 1.0 CB A:GLU117 3.8 25.2 0.6 C A:GLU117 3.8 23.1 1.0 CA A:PRO124 3.8 21.6 1.0 O A:VAL123 3.8 20.5 1.0 CB A:GLU117 3.9 24.4 0.4 CA A:SER122 3.9 22.5 0.4 N A:VAL123 3.9 21.3 1.0 CA A:SER122 3.9 23.2 0.6 CD A:PRO124 4.0 21.9 1.0 O A:ILE121 4.0 22.3 1.0 CG A:PRO124 4.0 24.5 1.0 CB A:SER118 4.0 20.4 1.0 CA A:SER118 4.1 20.3 1.0 CA A:VAL123 4.3 19.6 1.0 O A:SER118 4.3 22.8 1.0 CB A:PRO124 4.3 21.9 1.0 CG A:GLU117 4.4 25.2 0.4 OG A:SER118 4.4 19.8 1.0 C A:SER118 4.7 21.4 1.0 OE1 A:GLU117 4.7 26.8 0.4 C A:ILE121 4.7 21.0 1.0 CD A:GLU117 4.7 32.8 0.4 N A:SER122 4.8 21.8 1.0 N A:GLU117 4.8 23.5 1.0 O A:ILE116 4.9 24.2 1.0 CG A:GLU117 4.9 27.6 0.6 CB A:SER122 4.9 22.7 0.4 O A:GLU117 5.0 23.8 1.0 CB A:SER122 5.0 23.9 0.6

Chlorine binding site 2 out of 4 in the Crystal Structure of Nitrilotriacetate Monooxygenase Component B From Bacillus Cereus


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 Nitrilotriacetate Monooxygenase Component B From Bacillus Cereus within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl605 b:31.2 occ:1.00 NZ A:LYS69 3.0 31.9 0.6 O A:HOH672 3.2 38.8 1.0 N A:GLN62 3.2 17.2 1.0 CE1 A:TYR44 3.5 19.5 1.0 CD1 A:TYR44 3.6 18.6 1.0 CB A:GLN62 3.6 18.7 1.0 CG A:GLN62 3.6 19.8 1.0 CA A:GLN62 4.0 18.5 1.0 CE A:LYS69 4.0 30.0 0.6 O A:HOH782 4.1 44.2 1.0 C A:VAL61 4.2 15.6 1.0 CD A:LYS69 4.2 29.5 0.6 O A:HOH616 4.2 21.8 1.0 CA A:VAL61 4.2 15.2 1.0 O A:GLN62 4.3 21.0 1.0 O A:SER60 4.5 16.7 1.0 C A:GLN62 4.6 19.2 1.0 CG1 A:VAL61 4.7 17.0 1.0 CZ A:TYR44 4.8 18.6 1.0 CD A:GLN62 4.9 20.9 1.0 O A:HOH767 4.9 49.8 1.0 O A:HOH693 4.9 34.7 1.0 CG A:TYR44 4.9 16.0 1.0 NE2 A:GLN62 5.0 19.4 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Nitrilotriacetate Monooxygenase Component B From Bacillus Cereus


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 Nitrilotriacetate Monooxygenase Component B From Bacillus Cereus within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl602 b:26.1 occ:1.00 NZ B:LYS69 2.9 27.9 0.4 O B:HOH698 3.0 28.5 1.0 N B:GLN62 3.2 17.9 1.0 O B:HOH727 3.4 36.4 1.0 CE1 B:TYR44 3.6 16.3 1.0 CG B:GLN62 3.6 19.6 1.0 CB B:GLN62 3.6 18.9 1.0 NZ B:LYS69 3.7 33.0 0.6 CD1 B:TYR44 3.7 16.2 1.0 CA B:GLN62 4.0 18.8 1.0 CE B:LYS69 4.0 26.3 0.4 C B:VAL61 4.2 16.1 1.0 CA B:VAL61 4.2 14.7 1.0 CD B:LYS69 4.2 28.9 0.6 O B:HOH804 4.4 46.8 1.0 CE B:LYS69 4.4 30.8 0.6 O B:HOH610 4.5 22.2 1.0 O B:GLN62 4.5 19.9 1.0 CG1 B:VAL61 4.6 15.8 1.0 O B:SER60 4.6 17.2 1.0 O B:HOH860 4.7 69.0 1.0 C B:GLN62 4.8 20.5 1.0 CD B:GLN62 4.8 21.8 1.0 CZ B:TYR44 4.9 16.8 1.0 O B:HOH696 4.9 45.5 1.0 O B:HOH650 4.9 30.8 1.0 NE2 B:GLN62 5.0 19.5 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Nitrilotriacetate Monooxygenase Component B From Bacillus Cereus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Nitrilotriacetate Monooxygenase Component B From Bacillus Cereus within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl603 b:26.0 occ:1.00 O B:HOH810 3.2 38.0 1.0 O B:HOH697 3.3 36.5 1.0 N B:LEU39 3.3 18.2 1.0 O B:HOH683 3.6 27.5 1.0 CB B:SER106 3.8 19.7 1.0 CB B:LEU39 3.9 17.3 1.0 CA B:VAL38 4.0 18.6 1.0 OG B:SER106 4.0 17.8 1.0 C B:VAL38 4.1 18.2 1.0 CA B:LEU39 4.2 17.2 1.0 CG1 B:VAL38 4.2 21.2 1.0 O B:HOH752 4.3 32.9 1.0 O B:GLY37 4.4 19.4 1.0 O B:HOH716 4.4 34.4 1.0 CB B:VAL38 4.6 19.0 1.0 O B:LEU39 4.6 17.7 1.0 CG B:GLU109 4.7 21.4 1.0 C B:LEU39 4.9 17.3 1.0 CG2 B:VAL38 4.9 20.1 1.0 O B:HOH630 5.0 26.1 1.0

J.Osipiuk, P.Quartey, J.Abdullah, A.Joachimiak. X-Ray Crystal Structure of Nitrilotriacetate Monooxygenase Component B From Bacillus Cereus. To Be Published.