Bromine in PDB 4tm3: Kutzneria Sp. 744 Ornithine N-Hydroxylase, Ktzi-Fadox-Br

The structure of Kutzneria Sp. 744 Ornithine N-Hydroxylase, Ktzi-Fadox-Br, PDB code: 4tm3 was solved by J.W.Setser, C.L.Drennan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.51 / 2.09
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	79.814, 151.943, 161.870, 90.00, 90.00, 90.00
R / Rfree (%)	20.5 / 23.7

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 40; Page 5, Binding sites: 41 - 46;

Binding sites:

The binding sites of Bromine atom in the Kutzneria Sp. 744 Ornithine N-Hydroxylase, Ktzi-Fadox-Br (pdb code 4tm3). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 46 binding sites of Bromine where determined in the Kutzneria Sp. 744 Ornithine N-Hydroxylase, Ktzi-Fadox-Br, PDB code: 4tm3:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Bromine binding site 1 out of 46 in the Kutzneria Sp. 744 Ornithine N-Hydroxylase, Ktzi-Fadox-Br


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Kutzneria Sp. 744 Ornithine N-Hydroxylase, Ktzi-Fadox-Br within 5.0Å range: probe atom residue distance (Å) B Occ A:Br502 b:27.6 occ:0.86 N A:LEU91 3.5 23.5 1.0 CB A:LEU91 3.7 25.1 1.0 C A:GLY89 3.8 30.1 1.0 O A:HOH667 3.8 30.8 1.0 N A:VAL92 3.8 27.3 1.0 CA A:GLY89 3.9 30.9 1.0 O A:GLY89 4.0 30.6 1.0 N A:ARG90 4.0 25.4 1.0 CG2 A:VAL92 4.0 27.1 1.0 CA A:LEU91 4.1 25.3 1.0 O A:HIS86 4.4 26.0 1.0 CD2 A:HIS86 4.4 24.9 1.0 C A:ARG90 4.4 25.8 1.0 CA A:HIS86 4.4 24.8 1.0 C A:LEU91 4.5 27.4 1.0 CB A:VAL92 4.6 30.1 1.0 CA A:ARG90 4.6 25.6 1.0 O A:LEU85 4.7 25.5 1.0 N A:GLY89 4.8 25.7 1.0 CA A:VAL92 4.8 25.0 1.0 CG A:HIS86 4.9 25.9 1.0 C A:HIS86 4.9 27.7 1.0 CG A:LEU91 4.9 24.8 1.0

Bromine binding site 2 out of 46 in the Kutzneria Sp. 744 Ornithine N-Hydroxylase, Ktzi-Fadox-Br


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Kutzneria Sp. 744 Ornithine N-Hydroxylase, Ktzi-Fadox-Br within 5.0Å range: probe atom residue distance (Å) B Occ A:Br503 b:26.2 occ:0.79 OG A:SER183 3.1 28.6 1.0 OG A:SER209 3.1 25.3 1.0 OH A:TYR346 3.2 29.1 1.0 O A:HOH654 3.4 28.7 1.0 O A:HOH628 3.7 26.7 1.0 C6 A:FAD501 3.7 28.1 1.0 CB A:SER209 3.7 27.7 1.0 CG A:MET54 3.8 24.5 1.0 CE2 A:TYR346 3.8 26.6 1.0 CB A:SER183 3.9 26.2 1.0 C7M A:FAD501 3.9 22.4 1.0 CZ A:TYR346 4.0 25.1 1.0 O A:HOH629 4.0 28.5 1.0 N A:SER184 4.0 26.9 1.0 C A:SER183 4.2 23.4 1.0 C7 A:FAD501 4.3 28.2 1.0 CA A:SER184 4.3 24.7 1.0 O A:SER183 4.5 21.6 1.0 CA A:SER183 4.6 24.4 1.0 C5X A:FAD501 4.7 28.9 1.0 CB A:SER184 4.7 24.0 1.0 SD A:MET54 4.7 24.9 1.0 CB A:MET54 4.8 19.8 1.0 CE1 A:HIS182 4.8 25.9 1.0 N5 A:FAD501 4.8 26.5 1.0 CE A:MET54 4.9 23.9 1.0

Bromine binding site 3 out of 46 in the Kutzneria Sp. 744 Ornithine N-Hydroxylase, Ktzi-Fadox-Br


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Kutzneria Sp. 744 Ornithine N-Hydroxylase, Ktzi-Fadox-Br within 5.0Å range: probe atom residue distance (Å) B Occ A:Br504 b:28.4 occ:0.76 NE2 B:HIS98 3.3 35.5 1.0 N A:SER64 3.3 26.4 1.0 O A:HOH733 3.5 39.3 1.0 O A:HOH684 3.5 30.2 1.0 CE A:LYS67 3.6 27.1 1.0 CE1 B:HIS98 3.9 34.6 1.0 CA A:VAL63 3.9 21.7 1.0 CB A:SER64 4.0 29.9 1.0 CD A:LYS67 4.0 27.1 1.0 NZ A:LYS67 4.1 32.5 1.0 C A:VAL63 4.1 25.9 1.0 CE2 A:PHE101 4.1 30.4 1.0 CZ A:PHE101 4.2 35.1 1.0 CA A:SER64 4.3 27.1 1.0 OG A:SER64 4.3 26.9 1.0 OD1 A:ASN245 4.3 33.4 1.0 CB A:VAL63 4.4 23.6 1.0 O A:GLN62 4.4 29.0 1.0 CD2 B:HIS98 4.4 32.5 1.0 CG A:ASN245 4.4 37.3 1.0 CG A:LYS67 4.5 22.8 1.0 OD1 B:ASN96 4.7 38.4 1.0 CB A:ASN245 4.8 31.8 1.0 CG1 A:VAL63 4.8 24.8 1.0 ND2 A:ASN245 4.8 33.0 1.0

Bromine binding site 4 out of 46 in the Kutzneria Sp. 744 Ornithine N-Hydroxylase, Ktzi-Fadox-Br


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Kutzneria Sp. 744 Ornithine N-Hydroxylase, Ktzi-Fadox-Br within 5.0Å range: probe atom residue distance (Å) B Occ A:Br505 b:31.8 occ:0.77 OH A:TYR276 3.1 30.8 1.0 N A:LEU405 3.5 25.7 1.0 O3' A:FAD501 3.7 23.9 1.0 CG A:LEU405 3.7 23.7 1.0 O A:HOH623 3.8 24.1 1.0 C1' A:FAD501 4.0 30.3 1.0 CB A:LEU405 4.0 23.0 1.0 CA A:LEU404 4.1 31.7 1.0 CZ A:TYR276 4.1 29.5 1.0 CB A:GLN62 4.2 24.9 1.0 CE2 A:TYR276 4.2 28.2 1.0 CD1 A:LEU405 4.2 27.6 1.0 C A:LEU404 4.2 32.5 1.0 CB A:LEU404 4.2 28.7 1.0 CA A:LEU405 4.3 27.4 1.0 CD2 A:LEU404 4.4 33.4 1.0 C3' A:FAD501 4.4 25.8 1.0 CG A:GLN62 4.6 32.0 1.0 CG1 A:VAL63 4.6 24.8 1.0 O A:HOH682 4.8 36.3 1.0 C2' A:FAD501 4.9 27.1 1.0 CG A:LEU404 4.9 39.5 1.0 CD2 A:LEU405 5.0 24.1 1.0 N10 A:FAD501 5.0 26.4 1.0

Bromine binding site 5 out of 46 in the Kutzneria Sp. 744 Ornithine N-Hydroxylase, Ktzi-Fadox-Br


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Kutzneria Sp. 744 Ornithine N-Hydroxylase, Ktzi-Fadox-Br within 5.0Å range: probe atom residue distance (Å) B Occ A:Br506 b:36.5 occ:0.73 ND2 A:ASN407 3.0 33.8 1.0 OH A:TYR376 3.1 31.8 1.0 NH1 A:ARG374 3.4 40.0 1.0 OE2 A:GLU414 3.5 45.7 1.0 NH2 A:ARG374 3.6 41.5 1.0 CG2 A:THR410 3.8 34.5 1.0 CE1 A:TYR376 3.9 29.4 1.0 CZ A:ARG374 3.9 47.4 1.0 CZ A:TYR376 4.0 30.2 1.0 CG A:GLU414 4.1 38.3 1.0 CG A:ASN407 4.1 35.9 1.0 N A:ARG411 4.1 22.7 1.0 CA A:ARG411 4.3 26.1 1.0 CD A:GLU414 4.3 45.3 1.0 C A:THR410 4.4 30.2 1.0 CB A:THR410 4.4 29.4 1.0 CB A:PRO250 4.4 41.7 1.0 OD1 A:ASN407 4.5 32.4 1.0 CG1 A:VAL253 4.5 31.9 1.0 O A:THR410 4.5 28.8 1.0 CA A:PRO250 4.6 40.2 1.0 CB A:VAL253 4.6 37.3 1.0 CG2 A:VAL253 4.6 35.9 1.0 CB A:ARG411 4.6 24.3 1.0 O A:HOH704 4.6 30.9 1.0 CG A:PRO250 5.0 38.4 1.0

Bromine binding site 6 out of 46 in the Kutzneria Sp. 744 Ornithine N-Hydroxylase, Ktzi-Fadox-Br


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of Kutzneria Sp. 744 Ornithine N-Hydroxylase, Ktzi-Fadox-Br within 5.0Å range: probe atom residue distance (Å) B Occ A:Br507 b:35.7 occ:0.67 N A:HIS182 3.3 24.1 1.0 NE2 A:HIS189 3.5 43.4 1.0 CB A:SER176 3.8 39.7 1.0 CA A:TRP181 3.8 32.8 1.0 CG A:ARG185 3.8 33.2 1.0 CB A:ARG185 4.0 34.0 1.0 C A:TRP181 4.1 29.4 1.0 CD2 A:HIS189 4.1 40.8 1.0 CB A:HIS182 4.2 27.3 1.0 NH1 A:ARG185 4.2 52.0 1.0 CA A:HIS182 4.3 25.9 1.0 OG A:SER176 4.3 50.5 1.0 CB A:TRP181 4.3 25.6 1.0 O A:VAL180 4.4 32.1 1.0 O A:HIS182 4.4 23.6 1.0 CE1 A:HIS189 4.6 53.0 1.0 CD A:ARG185 4.6 46.3 1.0 C A:HIS182 4.9 23.7 1.0 N A:TRP181 5.0 28.8 1.0 CZ A:ARG185 5.0 59.7 1.0

Bromine binding site 7 out of 46 in the Kutzneria Sp. 744 Ornithine N-Hydroxylase, Ktzi-Fadox-Br


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 7 of Kutzneria Sp. 744 Ornithine N-Hydroxylase, Ktzi-Fadox-Br within 5.0Å range: probe atom residue distance (Å) B Occ A:Br508 b:34.9 occ:0.51 O A:HOH685 3.2 36.7 1.0 CA A:GLY413 3.7 30.3 1.0 CD A:ARG73 3.7 26.8 1.0 CG A:ARG73 3.8 31.8 1.0 C A:GLY413 3.8 29.9 1.0 N A:GLU414 3.9 29.1 1.0 O A:THR410 3.9 28.8 1.0 CA A:THR410 4.2 26.1 1.0 O A:GLY413 4.4 29.1 1.0 CG2 A:THR410 4.4 34.5 1.0 CB A:ARG73 4.5 23.6 1.0 C A:THR410 4.5 30.2 1.0 N A:GLY413 4.6 27.3 1.0 O A:ALA409 4.6 25.3 1.0 CA A:GLU414 4.7 31.5 1.0 CB A:THR410 4.8 29.4 1.0 CG A:GLU414 4.8 38.3 1.0 OE1 A:GLU414 4.9 46.1 1.0 CD A:GLU414 4.9 45.3 1.0 OG1 A:THR410 5.0 32.0 1.0

Bromine binding site 8 out of 46 in the Kutzneria Sp. 744 Ornithine N-Hydroxylase, Ktzi-Fadox-Br


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 8 of Kutzneria Sp. 744 Ornithine N-Hydroxylase, Ktzi-Fadox-Br within 5.0Å range: probe atom residue distance (Å) B Occ A:Br509 b:47.4 occ:0.48 NH1 A:ARG78 2.6 38.9 1.0 O A:HOH619 3.3 28.2 1.0 CZ A:ARG78 3.9 43.1 1.0 CG A:GLU32 4.0 29.4 1.0 CG A:GLU31 4.2 34.4 1.0 CD A:ARG78 4.2 41.1 1.0 CA A:GLU32 4.2 31.2 1.0 OE2 A:GLU31 4.2 39.4 1.0 O A:GLU31 4.3 36.8 1.0 NE A:ARG78 4.5 41.8 1.0 O A:HOH666 4.5 36.3 1.0 CB A:GLU32 4.6 28.2 1.0 N A:GLU32 4.6 30.4 1.0 C A:GLU31 4.6 32.3 1.0 CE1 A:PHE79 4.7 28.6 1.0 CD A:GLU31 4.7 37.6 1.0 NH2 A:ARG78 4.9 33.4 1.0 OE2 A:GLU32 4.9 32.2 1.0 CD A:GLU32 4.9 26.8 1.0

Bromine binding site 9 out of 46 in the Kutzneria Sp. 744 Ornithine N-Hydroxylase, Ktzi-Fadox-Br


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 9 of Kutzneria Sp. 744 Ornithine N-Hydroxylase, Ktzi-Fadox-Br within 5.0Å range: probe atom residue distance (Å) B Occ A:Br510 b:55.0 occ:0.58 NH2 A:ARG105 3.3 35.6 1.0 NH2 A:ARG191 3.5 44.4 1.0 CG A:PRO57 3.8 34.2 1.0 CD A:PRO57 3.9 30.1 1.0 CE1 A:PHE216 4.2 33.0 1.0 CZ A:ARG105 4.4 33.0 1.0 CZ A:ARG191 4.4 55.9 1.0 CZ A:PHE216 4.6 31.0 1.0 NE A:ARG191 4.6 58.2 1.0 NH1 A:ARG105 4.7 30.2 1.0 CD2 A:LEU187 4.7 35.6 1.0

Bromine binding site 10 out of 46 in the Kutzneria Sp. 744 Ornithine N-Hydroxylase, Ktzi-Fadox-Br


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 10 of Kutzneria Sp. 744 Ornithine N-Hydroxylase, Ktzi-Fadox-Br within 5.0Å range: probe atom residue distance (Å) B Occ A:Br511 b:37.0 occ:0.45 O B:HOH690 3.0 39.3 1.0 N A:PHE100 3.3 24.0 1.0 CB A:PHE100 3.7 24.9 1.0 OD1 A:ASP99 3.8 27.2 1.0 CD2 A:PHE100 3.9 28.0 1.0 CA A:PHE100 4.1 26.4 1.0 CA A:ASP99 4.1 25.9 1.0 CD1 A:PHE101 4.1 32.7 1.0 C A:ASP99 4.2 23.2 1.0 CE1 A:PHE101 4.3 33.4 1.0 O A:HIS98 4.3 28.7 1.0 CG A:PHE100 4.3 27.3 1.0 O B:HIS98 4.4 25.7 1.0 CB B:HIS98 4.5 30.3 1.0 CG A:ASP99 4.6 28.4 1.0 N A:PHE101 4.9 25.3 1.0 CB A:ASP99 5.0 23.2 1.0 C A:PHE100 5.0 26.2 1.0

J.W.Setser, J.R.Heemstra, C.T.Walsh, C.L.Drennan. Crystallographic Evidence For Drastic Conformational Changes in the Active Site of A Flavin-Dependent N-Hydroxylase. Biochemistry 2014.
ISSN: ISSN 0006-2960
PubMed: 25184411
DOI: 10.1021/BI500655Q