Bromine in PDB 4tm1: Kutzneria Sp. 744 Ornithine N-Hydroxylase, Ktzi-Fadred-Nadp+-Br

The structure of Kutzneria Sp. 744 Ornithine N-Hydroxylase, Ktzi-Fadred-Nadp+-Br, PDB code: 4tm1 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)	45.90 / 2.39
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	81.888, 151.711, 162.388, 90.00, 90.00, 90.00
R / Rfree (%)	19.9 / 22.2

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 35;

Binding sites:

The binding sites of Bromine atom in the Kutzneria Sp. 744 Ornithine N-Hydroxylase, Ktzi-Fadred-Nadp+-Br (pdb code 4tm1). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 35 binding sites of Bromine where determined in the Kutzneria Sp. 744 Ornithine N-Hydroxylase, Ktzi-Fadred-Nadp+-Br, PDB code: 4tm1:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Bromine binding site 1 out of 35 in the Kutzneria Sp. 744 Ornithine N-Hydroxylase, Ktzi-Fadred-Nadp+-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-Fadred-Nadp+-Br within 5.0Å range: probe atom residue distance (Å) B Occ A:Br503 b:29.1 occ:0.56 CA A:GLY413 3.7 23.1 1.0 O A:THR410 3.8 27.6 1.0 CG A:ARG73 3.8 23.3 1.0 C A:GLY413 3.8 24.9 1.0 CD A:ARG73 3.8 20.5 1.0 N A:GLU414 3.9 29.2 1.0 CA A:THR410 4.2 22.4 1.0 O A:GLY413 4.4 29.6 1.0 CG2 A:THR410 4.4 27.4 1.0 C A:THR410 4.4 28.0 1.0 N A:GLY413 4.6 26.4 1.0 CG A:GLU414 4.6 31.6 1.0 O A:ALA409 4.6 25.4 1.0 CB A:ARG73 4.7 26.1 1.0 CA A:GLU414 4.7 28.8 1.0 CB A:THR410 4.8 26.8 1.0

Bromine binding site 2 out of 35 in the Kutzneria Sp. 744 Ornithine N-Hydroxylase, Ktzi-Fadred-Nadp+-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-Fadred-Nadp+-Br within 5.0Å range: probe atom residue distance (Å) B Occ A:Br504 b:32.4 occ:0.73 ND2 A:ASN407 3.1 32.9 1.0 OH A:TYR376 3.1 21.4 1.0 NH1 A:ARG374 3.5 28.2 1.0 NH2 A:ARG374 3.5 21.3 1.0 CG2 A:THR410 3.6 27.4 1.0 CE1 A:TYR376 3.9 20.0 1.0 CZ A:TYR376 4.0 25.8 1.0 CZ A:ARG374 4.0 29.2 1.0 N A:ARG411 4.0 25.9 1.0 CA A:ARG411 4.1 21.0 1.0 CB A:THR410 4.3 26.8 1.0 C A:THR410 4.3 28.0 1.0 CG1 A:VAL253 4.3 35.3 1.0 CG A:ASN407 4.3 29.2 1.0 O A:THR410 4.5 27.6 1.0 CG A:GLU414 4.5 31.6 1.0 CB A:ARG411 4.5 22.6 1.0 CB A:VAL253 4.6 25.4 1.0 CG2 A:VAL253 4.8 24.2 1.0 OD1 A:ASN407 4.9 31.6 1.0 CA A:THR410 4.9 22.4 1.0

Bromine binding site 3 out of 35 in the Kutzneria Sp. 744 Ornithine N-Hydroxylase, Ktzi-Fadred-Nadp+-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-Fadred-Nadp+-Br within 5.0Å range: probe atom residue distance (Å) B Occ A:Br505 b:43.0 occ:0.62 O A:HOH663 2.9 25.0 1.0 N A:ALA58 3.6 32.1 1.0 CB A:PHE216 3.6 27.2 1.0 CD A:PRO57 3.7 25.1 1.0 CD1 A:PHE216 3.7 27.1 1.0 CA A:PHE216 3.8 18.7 1.0 CB A:PRO57 3.8 28.5 1.0 N A:PRO57 3.9 26.4 1.0 CG A:PRO57 3.9 27.8 1.0 CB A:LEU56 4.0 23.2 1.0 CB A:ALA58 4.1 28.8 1.0 CG A:PHE216 4.2 26.7 1.0 NE A:ARG215 4.2 36.4 1.0 CA A:PRO57 4.3 30.6 1.0 N A:PHE216 4.3 22.7 1.0 ND2 A:ASN220 4.3 37.8 1.0 C A:PRO57 4.4 34.3 1.0 CA A:ALA58 4.4 31.6 1.0 C A:LEU56 4.4 27.6 1.0 CD A:ARG215 4.7 24.7 1.0 CA A:LEU56 4.8 23.8 1.0 CE1 A:PHE216 4.8 32.3 1.0 O A:GLU212 4.8 27.2 1.0

Bromine binding site 4 out of 35 in the Kutzneria Sp. 744 Ornithine N-Hydroxylase, Ktzi-Fadred-Nadp+-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-Fadred-Nadp+-Br within 5.0Å range: probe atom residue distance (Å) B Occ A:Br506 b:29.9 occ:0.79 NE2 B:HIS98 3.1 45.9 1.0 N A:SER64 3.3 26.9 1.0 NZ A:LYS67 3.4 36.2 1.0 ND2 A:ASN245 3.5 43.4 1.0 O A:HOH667 3.6 22.4 1.0 CE1 B:HIS98 3.6 45.2 1.0 CB A:SER64 3.7 26.8 1.0 CA A:VAL63 3.9 21.5 1.0 CD A:LYS67 3.9 26.7 1.0 CE A:LYS67 4.0 29.9 1.0 C A:VAL63 4.1 22.0 1.0 CA A:SER64 4.1 25.3 1.0 CE1 A:PHE101 4.1 22.4 1.0 CG A:ASN245 4.3 43.4 1.0 CZ A:PHE101 4.3 24.6 1.0 CD2 B:HIS98 4.3 41.8 1.0 O A:GLN62 4.4 27.4 1.0 CB A:VAL63 4.4 22.6 1.0 OD1 A:ASN245 4.4 44.2 1.0 CG1 A:VAL63 4.6 17.7 1.0 ND1 B:HIS98 4.9 48.5 1.0 N A:VAL63 5.0 20.8 1.0

Bromine binding site 5 out of 35 in the Kutzneria Sp. 744 Ornithine N-Hydroxylase, Ktzi-Fadred-Nadp+-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-Fadred-Nadp+-Br within 5.0Å range: probe atom residue distance (Å) B Occ A:Br507 b:33.8 occ:0.77 N A:LEU91 3.4 22.0 1.0 C A:GLY89 3.6 28.0 1.0 CB A:LEU91 3.7 18.8 1.0 CA A:GLY89 3.8 23.9 1.0 N A:VAL92 3.8 24.5 1.0 N A:ARG90 3.9 26.7 1.0 O A:GLY89 4.0 28.0 1.0 CA A:LEU91 4.0 19.7 1.0 CG2 A:VAL92 4.1 25.9 1.0 O A:HIS86 4.3 26.5 1.0 C A:ARG90 4.4 21.9 1.0 C A:LEU91 4.4 28.9 1.0 CA A:HIS86 4.5 21.5 1.0 CA A:ARG90 4.5 23.2 1.0 CB A:VAL92 4.6 35.1 1.0 O A:LEU85 4.6 28.3 1.0 CD2 A:HIS86 4.6 19.0 1.0 N A:GLY89 4.7 25.0 1.0 CA A:VAL92 4.8 21.8 1.0 CG A:LEU91 4.9 24.4 1.0 C A:HIS86 4.9 23.6 1.0

Bromine binding site 6 out of 35 in the Kutzneria Sp. 744 Ornithine N-Hydroxylase, Ktzi-Fadred-Nadp+-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-Fadred-Nadp+-Br within 5.0Å range: probe atom residue distance (Å) B Occ A:Br508 b:44.9 occ:0.49 N6A A:NAP502 3.3 20.0 1.0 O A:HOH682 3.4 26.9 1.0 N A:ALA172 3.6 28.6 1.0 N7A A:NAP502 3.9 17.0 1.0 CA A:PRO171 3.9 32.8 1.0 CB A:PRO171 4.1 26.7 1.0 O A:HOH681 4.1 40.0 1.0 C A:PRO171 4.3 29.5 1.0 C6A A:NAP502 4.4 18.4 1.0 CB A:ALA172 4.4 31.1 1.0 C5A A:NAP502 4.5 21.7 1.0 CA A:ALA172 4.6 35.3 1.0 O A:VAL310 4.9 28.2 1.0

Bromine binding site 7 out of 35 in the Kutzneria Sp. 744 Ornithine N-Hydroxylase, Ktzi-Fadred-Nadp+-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-Fadred-Nadp+-Br within 5.0Å range: probe atom residue distance (Å) B Occ A:Br509 b:30.2 occ:0.66 O A:HOH701 3.2 29.1 1.0 N A:HIS182 3.3 23.3 1.0 NE2 A:HIS189 3.5 37.2 1.0 CB A:SER176 3.8 30.9 1.0 CA A:TRP181 3.9 25.9 1.0 CB A:ARG185 4.1 32.1 1.0 C A:TRP181 4.1 24.7 1.0 NE A:ARG185 4.2 44.1 1.0 CB A:HIS182 4.2 21.0 1.0 CD2 A:HIS189 4.3 35.9 1.0 CG A:ARG185 4.3 32.6 1.0 CA A:HIS182 4.3 19.0 1.0 CB A:TRP181 4.3 26.0 1.0 CE1 A:HIS189 4.4 40.3 1.0 O A:VAL180 4.4 28.9 1.0 O A:HIS182 4.5 24.1 1.0 OG A:SER176 4.5 44.6 1.0 CD A:ARG185 4.9 42.2 1.0 C A:HIS182 4.9 21.1 1.0 NH2 A:ARG185 4.9 47.6 1.0

Bromine binding site 8 out of 35 in the Kutzneria Sp. 744 Ornithine N-Hydroxylase, Ktzi-Fadred-Nadp+-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-Fadred-Nadp+-Br within 5.0Å range: probe atom residue distance (Å) B Occ A:Br510 b:52.1 occ:0.59 CD2 A:PHE179 3.3 41.7 1.0 N A:PHE179 3.4 33.9 1.0 CB A:PHE179 3.4 38.5 1.0 CG A:ASP177 3.7 49.5 1.0 CB A:ASP177 3.8 40.9 1.0 CG A:PHE179 3.9 38.8 1.0 CB A:ARG315 3.9 35.8 1.0 CA A:PHE179 3.9 34.1 1.0 OD1 A:ASP177 3.9 46.1 1.0 CD A:ARG315 4.0 33.0 1.0 OD2 A:ASP177 4.1 51.8 1.0 CG A:ARG315 4.2 35.7 1.0 N A:GLU178 4.2 36.3 1.0 C A:PHE179 4.3 28.2 1.0 N A:VAL180 4.4 25.6 1.0 C A:GLU178 4.4 38.8 1.0 CE2 A:PHE179 4.5 45.0 1.0 CG2 A:VAL180 4.6 29.0 1.0 OG1 A:THR320 4.7 33.8 1.0 CA A:GLU178 4.7 37.8 1.0 C A:ASP177 4.8 34.9 1.0 CB A:GLU178 4.8 42.5 1.0 CA A:ARG315 4.9 34.9 1.0 CA A:ASP177 4.9 32.7 1.0 NE A:ARG315 5.0 35.5 1.0

Bromine binding site 9 out of 35 in the Kutzneria Sp. 744 Ornithine N-Hydroxylase, Ktzi-Fadred-Nadp+-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-Fadred-Nadp+-Br within 5.0Å range: probe atom residue distance (Å) B Occ A:Br511 b:32.4 occ:0.62 OH A:TYR333 3.3 24.4 1.0 CE2 A:TYR333 3.7 22.3 1.0 ND2 A:ASN303 3.7 35.7 1.0 CZ A:TYR333 3.9 22.4 1.0 CG2 A:VAL305 4.0 21.8 1.0 CG A:LEU335 4.5 28.3 1.0 ND1 A:HIS227 4.5 31.7 1.0 CD2 A:LEU335 4.6 26.6 1.0 CG1 A:VAL305 4.7 15.5 1.0 CG A:ASN303 4.9 47.2 1.0 CE1 A:HIS227 4.9 23.4 1.0 CD2 A:TYR333 4.9 22.6 1.0 CD1 A:LEU335 4.9 21.5 1.0

Bromine binding site 10 out of 35 in the Kutzneria Sp. 744 Ornithine N-Hydroxylase, Ktzi-Fadred-Nadp+-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-Fadred-Nadp+-Br within 5.0Å range: probe atom residue distance (Å) B Occ B:Br503 b:37.1 occ:0.76 N B:LEU91 3.4 23.8 1.0 N B:VAL92 3.7 29.7 1.0 CB B:LEU91 3.7 19.4 1.0 C B:GLY89 3.7 28.8 1.0 CA B:GLY89 3.8 22.9 1.0 N B:ARG90 3.9 25.6 1.0 O B:HOH661 3.9 29.3 1.0 CG2 B:VAL92 3.9 32.3 1.0 CA B:LEU91 4.0 20.9 1.0 O B:GLY89 4.0 29.1 1.0 C B:ARG90 4.3 20.6 1.0 C B:LEU91 4.3 27.2 1.0 O B:HIS86 4.4 26.9 1.0 CB B:VAL92 4.5 34.0 1.0 CA B:ARG90 4.5 23.9 1.0 CA B:HIS86 4.6 22.8 1.0 O B:LEU85 4.7 27.5 1.0 CA B:VAL92 4.7 25.4 1.0 CD2 B:HIS86 4.7 28.9 1.0 N B:GLY89 4.8 25.1 1.0 CG B:LEU91 4.8 23.3 1.0 C B:HIS86 5.0 28.3 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