Bromine in PDB 4tm4: Kutzneria Sp. 744 Ornithine N-Hydroxylase, Ktzi-Fadox-Red-Nadp+-Br

The structure of Kutzneria Sp. 744 Ornithine N-Hydroxylase, Ktzi-Fadox-Red-Nadp+-Br, PDB code: 4tm4 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)	46.12 / 2.63
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	82.387, 151.956, 163.551, 90.00, 90.00, 90.00
R / Rfree (%)	19.3 / 22.3

Pages:

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

Binding sites:

The binding sites of Bromine atom in the Kutzneria Sp. 744 Ornithine N-Hydroxylase, Ktzi-Fadox-Red-Nadp+-Br (pdb code 4tm4). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 31 binding sites of Bromine where determined in the Kutzneria Sp. 744 Ornithine N-Hydroxylase, Ktzi-Fadox-Red-Nadp+-Br, PDB code: 4tm4:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Bromine binding site 1 out of 31 in the Kutzneria Sp. 744 Ornithine N-Hydroxylase, Ktzi-Fadox-Red-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-Fadox-Red-Nadp+-Br within 5.0Å range: probe atom residue distance (Å) B Occ A:Br503 b:37.7 occ:0.57 N A:ALA58 3.6 27.1 1.0 CB A:PHE216 3.6 28.1 1.0 CD1 A:PHE216 3.7 30.6 1.0 CD A:PRO57 3.7 26.5 1.0 CA A:PHE216 3.8 22.6 1.0 CB A:PRO57 3.8 25.9 1.0 N A:PRO57 3.9 29.8 1.0 CG A:PRO57 4.0 24.9 1.0 CB A:ALA58 4.1 29.6 1.0 CB A:LEU56 4.1 29.0 1.0 CG A:PHE216 4.1 26.3 1.0 NE A:ARG215 4.2 44.7 1.0 CA A:PRO57 4.3 27.2 1.0 N A:PHE216 4.3 23.1 1.0 C A:PRO57 4.4 30.3 1.0 CA A:ALA58 4.4 32.6 1.0 C A:LEU56 4.5 28.4 1.0 CD A:ARG215 4.6 26.0 1.0 CE1 A:PHE216 4.8 28.0 1.0 CA A:LEU56 4.8 23.9 1.0 O A:GLU212 4.9 22.4 1.0

Bromine binding site 2 out of 31 in the Kutzneria Sp. 744 Ornithine N-Hydroxylase, Ktzi-Fadox-Red-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-Fadox-Red-Nadp+-Br within 5.0Å range: probe atom residue distance (Å) B Occ A:Br504 b:20.6 occ:0.70 N A:SER64 3.3 23.4 1.0 NE2 B:HIS98 3.3 40.7 1.0 CE1 B:HIS98 3.6 41.3 1.0 CE A:LYS67 3.6 38.0 1.0 CB A:SER64 3.7 26.6 1.0 O A:HOH612 3.8 31.2 1.0 ND2 A:ASN245 3.8 51.3 1.0 CA A:VAL63 3.9 22.5 1.0 CD A:LYS67 4.0 27.8 1.0 C A:VAL63 4.1 19.2 1.0 CA A:SER64 4.1 21.8 1.0 CG2 A:VAL63 4.1 22.5 1.0 NZ A:LYS67 4.2 44.8 1.0 CE1 A:PHE101 4.2 17.5 1.0 CG A:ASN245 4.3 46.0 1.0 OD1 A:ASN245 4.4 50.0 1.0 CZ A:PHE101 4.4 22.0 1.0 O A:GLN62 4.4 26.4 1.0 CD2 B:HIS98 4.6 44.1 1.0 CG A:LYS67 4.6 27.1 1.0 CB A:VAL63 4.7 26.8 1.0 ND1 B:HIS98 4.9 46.0 1.0 OD1 B:ASN96 5.0 40.2 1.0 N A:VAL63 5.0 22.3 1.0 OG A:SER64 5.0 22.8 1.0

Bromine binding site 3 out of 31 in the Kutzneria Sp. 744 Ornithine N-Hydroxylase, Ktzi-Fadox-Red-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-Fadox-Red-Nadp+-Br within 5.0Å range: probe atom residue distance (Å) B Occ A:Br505 b:34.5 occ:0.58 CG A:ARG73 3.7 20.0 1.0 CA A:GLY413 3.8 25.4 1.0 O A:THR410 3.8 37.7 1.0 CD A:ARG73 3.8 19.1 1.0 C A:GLY413 3.9 27.2 1.0 N A:GLU414 3.9 30.2 1.0 CA A:THR410 4.2 26.7 1.0 CG2 A:THR410 4.4 30.6 1.0 O A:GLY413 4.5 29.4 1.0 C A:THR410 4.5 34.0 1.0 N A:GLY413 4.6 29.7 1.0 CB A:ARG73 4.6 23.0 1.0 O A:ALA409 4.7 25.5 1.0 CA A:GLU414 4.8 30.8 1.0 CB A:THR410 4.8 25.8 1.0

Bromine binding site 4 out of 31 in the Kutzneria Sp. 744 Ornithine N-Hydroxylase, Ktzi-Fadox-Red-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-Fadox-Red-Nadp+-Br within 5.0Å range: probe atom residue distance (Å) B Occ A:Br506 b:27.1 occ:0.66 OE1 A:GLU414 2.5 64.7 1.0 ND2 A:ASN407 3.0 39.9 1.0 OH A:TYR376 3.1 34.9 1.0 CD A:GLU414 3.4 58.5 1.0 NH2 A:ARG374 3.5 36.6 1.0 NH1 A:ARG374 3.6 36.3 1.0 CG2 A:THR410 3.6 30.6 1.0 OE2 A:GLU414 3.7 62.2 1.0 CE1 A:TYR376 3.9 29.5 1.0 CZ A:TYR376 4.0 35.3 1.0 CZ A:ARG374 4.0 40.0 1.0 N A:ARG411 4.0 30.7 1.0 CA A:ARG411 4.1 29.2 1.0 C A:THR410 4.2 34.0 1.0 CB A:THR410 4.3 25.8 1.0 CG A:ASN407 4.3 36.9 1.0 O A:THR410 4.4 37.7 1.0 CG2 A:VAL253 4.4 31.7 1.0 CG1 A:VAL253 4.5 39.2 1.0 CB A:ARG411 4.5 23.8 1.0 CB A:VAL253 4.6 36.8 1.0 OD1 A:ASN407 4.8 43.6 1.0 CG A:GLU414 4.8 37.9 1.0 CB A:PRO250 4.9 36.2 1.0 CA A:THR410 4.9 26.7 1.0 CA A:PRO250 5.0 37.5 1.0

Bromine binding site 5 out of 31 in the Kutzneria Sp. 744 Ornithine N-Hydroxylase, Ktzi-Fadox-Red-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-Fadox-Red-Nadp+-Br within 5.0Å range: probe atom residue distance (Å) B Occ A:Br507 b:24.9 occ:0.71 N A:LEU91 3.5 21.4 1.0 C A:GLY89 3.6 30.4 1.0 CA A:GLY89 3.7 25.7 1.0 N A:VAL92 3.8 27.7 1.0 CB A:LEU91 3.8 20.4 1.0 N A:ARG90 3.9 27.4 1.0 O A:HOH653 3.9 32.6 1.0 O A:GLY89 4.0 29.9 1.0 CG2 A:VAL92 4.0 24.5 1.0 CA A:LEU91 4.1 22.7 1.0 O A:HIS86 4.4 28.8 1.0 C A:ARG90 4.5 24.0 1.0 C A:LEU91 4.5 29.0 1.0 CB A:VAL92 4.6 38.4 1.0 CA A:HIS86 4.6 22.2 1.0 CA A:ARG90 4.6 23.9 1.0 O A:LEU85 4.6 28.1 1.0 N A:GLY89 4.7 24.5 1.0 CD2 A:HIS86 4.8 25.1 1.0 CA A:VAL92 4.8 27.3 1.0 C A:HIS86 5.0 24.8 1.0

Bromine binding site 6 out of 31 in the Kutzneria Sp. 744 Ornithine N-Hydroxylase, Ktzi-Fadox-Red-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-Fadox-Red-Nadp+-Br within 5.0Å range: probe atom residue distance (Å) B Occ A:Br508 b:56.3 occ:0.54 NH2 A:ARG153 2.9 54.3 1.0 CG1 A:VAL155 3.7 38.8 1.0 CE1 A:HIS12 3.8 36.0 1.0 CZ A:ARG153 4.0 59.1 1.0 CZ A:PHE42 4.1 32.2 1.0 NH1 A:ARG153 4.2 53.9 1.0 NE2 A:HIS12 4.2 29.4 1.0 CB A:ALA40 4.4 20.6 1.0 CE1 A:PHE42 4.5 31.4 1.0 CB A:VAL155 4.7 37.8 1.0 ND1 A:HIS12 4.9 39.0 1.0

Bromine binding site 7 out of 31 in the Kutzneria Sp. 744 Ornithine N-Hydroxylase, Ktzi-Fadox-Red-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-Fadox-Red-Nadp+-Br within 5.0Å range: probe atom residue distance (Å) B Occ A:Br509 b:31.8 occ:0.68 N A:HIS182 3.4 29.7 1.0 NE2 A:HIS189 3.6 41.1 1.0 CB A:SER176 3.8 34.9 1.0 CG A:ARG185 3.8 35.9 1.0 CB A:ARG185 4.0 31.6 1.0 CA A:TRP181 4.0 21.2 1.0 NE A:ARG185 4.1 56.9 1.0 CD2 A:HIS189 4.1 40.4 1.0 C A:TRP181 4.2 28.6 1.0 CB A:HIS182 4.2 21.3 1.0 CA A:HIS182 4.3 24.8 1.0 OG A:SER176 4.4 39.6 1.0 CB A:TRP181 4.5 22.1 1.0 O A:HIS182 4.5 27.1 1.0 O A:VAL180 4.5 29.2 1.0 CD A:ARG185 4.6 50.5 1.0 CE1 A:HIS189 4.7 40.4 1.0 C A:HIS182 4.9 22.7 1.0

Bromine binding site 8 out of 31 in the Kutzneria Sp. 744 Ornithine N-Hydroxylase, Ktzi-Fadox-Red-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-Fadox-Red-Nadp+-Br within 5.0Å range: probe atom residue distance (Å) B Occ A:Br510 b:51.5 occ:0.62 CD2 A:PHE179 3.3 53.5 1.0 N A:PHE179 3.4 45.2 1.0 CB A:PHE179 3.6 42.3 1.0 CB A:ASP177 3.8 46.4 1.0 N A:GLU178 3.9 38.0 1.0 CD A:ARG315 3.9 34.4 1.0 CG A:ASP177 3.9 57.0 1.0 CG A:PHE179 4.0 47.1 1.0 CA A:PHE179 4.0 38.8 1.0 CB A:ARG315 4.0 35.4 1.0 CB A:GLU178 4.2 47.8 1.0 CG A:ARG315 4.2 34.7 1.0 C A:GLU178 4.2 41.0 1.0 OD1 A:ASP177 4.2 56.9 1.0 CA A:GLU178 4.3 45.7 1.0 OD2 A:ASP177 4.3 58.9 1.0 CE2 A:PHE179 4.3 45.1 1.0 C A:PHE179 4.4 32.0 1.0 N A:VAL180 4.6 25.3 1.0 C A:ASP177 4.6 42.0 1.0 NE A:ARG315 4.8 42.8 1.0 OG1 A:THR320 4.8 38.2 1.0 CA A:ASP177 4.9 35.8 1.0 CG2 A:VAL180 4.9 22.4 1.0

Bromine binding site 9 out of 31 in the Kutzneria Sp. 744 Ornithine N-Hydroxylase, Ktzi-Fadox-Red-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-Fadox-Red-Nadp+-Br within 5.0Å range: probe atom residue distance (Å) B Occ A:Br511 b:32.5 occ:0.55 OH A:TYR333 3.6 30.0 1.0 ND2 A:ASN303 3.8 42.4 1.0 CE2 A:TYR333 3.9 24.2 1.0 CG2 A:VAL305 4.0 21.1 1.0 CZ A:TYR333 4.2 31.9 1.0 CG A:LEU335 4.3 37.3 1.0 CD1 A:LEU335 4.4 30.9 1.0 ND1 A:HIS227 4.5 28.6 1.0 CG1 A:VAL305 4.8 19.9 1.0 CD2 A:LEU335 4.8 39.4 1.0 CE1 A:HIS227 4.9 24.4 1.0 CG A:ASN303 5.0 55.5 1.0

Bromine binding site 10 out of 31 in the Kutzneria Sp. 744 Ornithine N-Hydroxylase, Ktzi-Fadox-Red-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-Fadox-Red-Nadp+-Br within 5.0Å range: probe atom residue distance (Å) B Occ A:Br512 b:60.0 occ:0.64 NE A:ARG272 3.4 42.2 1.0 CE3 A:TRP268 3.9 22.8 1.0 NH2 A:ARG272 3.9 45.0 1.0 CZ A:ARG272 4.1 40.6 1.0 CB A:TRP268 4.2 21.0 1.0 CD A:ARG272 4.3 47.7 1.0 CD2 A:TRP268 4.4 25.2 1.0 CG A:TRP268 4.6 24.8 1.0 CZ3 A:TRP268 4.6 18.2 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