Iodine in PDB 5cqf: Crystal Structure of L-Lysine 6-Monooxygenase From Pseudomonas Syringae

The structure of Crystal Structure of L-Lysine 6-Monooxygenase From Pseudomonas Syringae, PDB code: 5cqf was solved by K.Michalska, L.Bigelow, R.Jedrzejczak, R.S.Weerth, H.Cao, R.Yennamalli, G.N.Phillips Jr., M.G.Thomas, A.Joachimiak, Midwest Center Forstructural Genomics (Mcsg), Enzyme Discovery For Natural Productbiosynthesis (Natpro), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.10 / 2.28
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	77.218, 85.495, 139.016, 90.00, 90.00, 90.00
R / Rfree (%)	18.4 / 23.3

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Iodine atom in the Crystal Structure of L-Lysine 6-Monooxygenase From Pseudomonas Syringae (pdb code 5cqf). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 12 binding sites of Iodine where determined in the Crystal Structure of L-Lysine 6-Monooxygenase From Pseudomonas Syringae, PDB code: 5cqf:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iodine binding site 1 out of 12 in the Crystal Structure of L-Lysine 6-Monooxygenase From Pseudomonas Syringae


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Crystal Structure of L-Lysine 6-Monooxygenase From Pseudomonas Syringae within 5.0Å range: probe atom residue distance (Å) B Occ A:I501 b:52.9 occ:0.70 N A:GLY281 3.5 54.8 1.0 N A:PHE246 3.6 35.4 1.0 O A:HOH661 3.7 57.7 1.0 CB A:GLN245 3.8 37.7 1.0 CA A:GLN245 3.8 36.6 1.0 CD1 A:TYR279 3.8 77.0 1.0 CE1 A:TYR279 4.0 73.8 1.0 CA A:ALA280 4.0 73.7 1.0 CG A:GLN245 4.1 40.9 1.0 O A:TYR279 4.2 84.7 1.0 C A:GLN245 4.2 36.2 1.0 C A:ALA280 4.3 65.9 1.0 CA A:GLY281 4.3 48.7 1.0 CB A:PHE246 4.4 37.5 1.0 O A:GLY281 4.5 40.3 1.0 CA A:PHE246 4.6 36.4 1.0 O A:HOH639 4.7 39.4 1.0 C A:TYR279 4.7 82.3 1.0 N A:ALA280 4.8 76.5 1.0 CD A:GLN245 4.9 41.0 1.0 C A:GLY281 4.9 42.9 1.0

Iodine binding site 2 out of 12 in the Crystal Structure of L-Lysine 6-Monooxygenase From Pseudomonas Syringae


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Crystal Structure of L-Lysine 6-Monooxygenase From Pseudomonas Syringae within 5.0Å range: probe atom residue distance (Å) B Occ A:I502 b:58.4 occ:0.70 NH2 A:ARG287 3.2 67.9 1.0 NH1 A:ARG287 3.4 67.9 1.0 CZ A:ARG287 3.7 69.7 1.0 CD2 A:LEU305 4.0 44.9 1.0 CD1 A:PHE291 4.1 44.2 1.0 CA A:PHE291 4.2 36.4 1.0 CG A:LEU290 4.3 37.0 1.0 NZ A:LYS239 4.4 58.9 1.0 CB A:PHE291 4.4 38.5 1.0 CE A:LYS239 4.4 55.3 1.0 CD2 A:LEU290 4.5 37.7 1.0 N A:PHE291 4.5 35.1 1.0 CG A:PHE291 4.7 40.8 1.0 O A:HOH658 4.7 42.6 1.0 CG A:LYS239 4.8 48.6 1.0 CG1 A:ILE294 4.8 37.4 1.0 C A:LEU290 4.9 34.7 1.0 CB A:PHE238 4.9 37.1 1.0

Iodine binding site 3 out of 12 in the Crystal Structure of L-Lysine 6-Monooxygenase From Pseudomonas Syringae


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Crystal Structure of L-Lysine 6-Monooxygenase From Pseudomonas Syringae within 5.0Å range: probe atom residue distance (Å) B Occ A:I503 b:50.5 occ:0.90 OH A:TYR379 3.5 43.2 1.0 NH1 A:ARG377 3.7 44.3 1.0 NH2 A:ARG377 3.7 49.9 1.0 NE A:ARG418 3.9 62.7 1.0 O A:HOH673 3.9 55.2 1.0 O A:HOH620 4.0 40.4 1.0 CE2 A:TYR379 4.1 43.5 1.0 CG A:PRO253 4.1 41.6 1.0 CB A:LEU414 4.2 38.6 1.0 CZ A:ARG377 4.2 47.9 1.0 CZ A:TYR379 4.2 43.5 1.0 CG A:ARG415 4.3 40.9 1.0 CB A:PRO253 4.3 39.3 1.0 N A:ARG415 4.4 38.1 1.0 NH2 A:ARG418 4.5 63.8 1.0 CZ A:ARG418 4.5 61.8 1.0 C A:LEU414 4.6 39.4 1.0 CD A:ARG418 4.6 59.4 1.0 CA A:ARG415 4.7 38.7 1.0 O A:LEU414 4.9 38.5 1.0

Iodine binding site 4 out of 12 in the Crystal Structure of L-Lysine 6-Monooxygenase From Pseudomonas Syringae


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Crystal Structure of L-Lysine 6-Monooxygenase From Pseudomonas Syringae within 5.0Å range: probe atom residue distance (Å) B Occ A:I504 b:58.8 occ:0.90 N A:HIS185 3.7 42.1 1.0 NH2 A:ARG192 3.7 58.1 1.0 CB A:PHE184 3.8 44.1 1.0 NE A:ARG192 4.0 54.1 1.0 CA A:PHE184 4.0 43.6 1.0 CG A:ARG188 4.2 68.9 1.0 CZ A:ARG192 4.3 56.5 1.0 CB A:ARG188 4.3 62.2 1.0 NH1 A:ARG188 4.4 89.9 1.0 CD2 A:LEU179 4.4 50.5 1.0 C A:PHE184 4.4 42.5 1.0 CB A:HIS185 4.4 44.4 1.0 CZ A:ARG188 4.6 88.5 1.0 CA A:HIS185 4.6 43.1 1.0 CD1 A:LEU179 4.8 55.0 1.0 CB A:LEU179 4.9 52.8 1.0 O A:HIS185 4.9 44.5 1.0 CG A:LEU179 4.9 54.0 1.0 O A:LEU183 5.0 43.3 1.0

Iodine binding site 5 out of 12 in the Crystal Structure of L-Lysine 6-Monooxygenase From Pseudomonas Syringae


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of Crystal Structure of L-Lysine 6-Monooxygenase From Pseudomonas Syringae within 5.0Å range: probe atom residue distance (Å) B Occ A:I505 b:39.5 occ:0.95 CB A:PHE97 4.2 35.7 1.0 CD1 A:PHE97 4.2 36.5 1.0 CA A:PHE97 4.3 34.3 1.0 CG A:MSE96 4.3 44.8 1.0 N A:PHE97 4.4 35.1 1.0 CG A:PHE97 4.7 36.2 1.0 SE A:MSE96 4.8 57.8 1.0 CB A:MSE96 4.9 40.2 1.0 C A:MSE96 4.9 35.2 1.0 O A:HOH659 5.0 45.0 1.0

Iodine binding site 6 out of 12 in the Crystal Structure of L-Lysine 6-Monooxygenase From Pseudomonas Syringae


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 6 of Crystal Structure of L-Lysine 6-Monooxygenase From Pseudomonas Syringae within 5.0Å range: probe atom residue distance (Å) B Occ A:I506 b:70.6 occ:0.70 N A:GLY237 3.5 38.3 1.0 CA A:GLY237 4.1 38.3 1.0 CB A:ALA236 4.4 43.8 1.0 CD1 A:LEU240 4.4 45.4 1.0 C A:ALA236 4.6 41.0 1.0 CB A:LYS239 4.6 46.0 1.0 C A:GLY237 4.7 38.0 1.0 O A:HOH658 4.7 42.6 1.0 CA A:ALA236 4.7 42.3 1.0 CG A:LEU240 4.8 45.0 1.0 O A:GLY237 4.9 38.1 1.0 N A:LYS239 4.9 41.2 1.0 CD A:LYS239 5.0 53.1 1.0

Iodine binding site 7 out of 12 in the Crystal Structure of L-Lysine 6-Monooxygenase From Pseudomonas Syringae


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 7 of Crystal Structure of L-Lysine 6-Monooxygenase From Pseudomonas Syringae within 5.0Å range: probe atom residue distance (Å) B Occ A:I507 b:74.9 occ:0.70 O A:GLY346 2.8 55.4 1.0 N A:GLY210 3.4 37.6 1.0 O A:HOH675 3.4 49.2 1.0 N A:ALA213 3.5 35.2 1.0 C A:GLY346 3.6 51.5 1.0 CA A:GLY210 3.7 37.4 1.0 O A:HOH624 3.7 39.6 1.0 CB A:ALA213 3.7 34.7 1.0 CA A:GLY346 3.8 49.2 1.0 O A:HOH632 3.9 42.6 1.0 C A:GLY210 3.9 38.2 1.0 O A:GLY210 4.0 36.1 1.0 CB A:SER212 4.1 40.0 1.0 CA A:ALA213 4.2 35.6 1.0 N A:SER212 4.2 38.0 1.0 N A:SER209 4.2 36.0 1.0 C A:SER212 4.4 37.3 1.0 CA A:SER212 4.4 38.9 1.0 C A:GLY208 4.5 35.7 1.0 CA A:GLY208 4.6 36.8 1.0 N A:GLN211 4.6 38.9 1.0 C A:SER209 4.6 37.5 1.0 N A:THR347 4.7 52.4 1.0 OG A:SER212 4.8 43.2 1.0 N A:GLY348 4.9 55.9 1.0 CA A:SER209 5.0 37.0 1.0

Iodine binding site 8 out of 12 in the Crystal Structure of L-Lysine 6-Monooxygenase From Pseudomonas Syringae


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 8 of Crystal Structure of L-Lysine 6-Monooxygenase From Pseudomonas Syringae within 5.0Å range: probe atom residue distance (Å) B Occ A:I508 b:71.0 occ:0.30 NE2 A:GLN242 3.1 64.4 1.0 N A:LEU243 3.4 43.0 1.0 CA A:GLN242 3.6 47.8 1.0 CD A:GLN242 3.6 59.6 1.0 NH1 A:ARG249 3.8 62.5 1.0 C A:GLN242 4.0 45.0 1.0 CB A:GLN242 4.1 51.3 1.0 CG A:GLN242 4.2 55.0 1.0 OE1 A:GLN242 4.2 77.9 1.0 O A:THR241 4.2 46.4 1.0 CB A:LEU243 4.4 45.3 1.0 CA A:LEU243 4.4 44.1 1.0 CG A:LEU243 4.5 48.5 1.0 NH2 A:ARG249 4.5 59.7 1.0 N A:GLN242 4.6 48.9 1.0 CD1 A:LEU243 4.6 51.0 1.0 CZ A:ARG249 4.6 58.4 1.0 C A:THR241 4.8 49.5 1.0 O A:LEU243 4.9 42.4 1.0

Iodine binding site 9 out of 12 in the Crystal Structure of L-Lysine 6-Monooxygenase From Pseudomonas Syringae


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 9 of Crystal Structure of L-Lysine 6-Monooxygenase From Pseudomonas Syringae within 5.0Å range: probe atom residue distance (Å) B Occ A:I509 b:69.5 occ:0.25 O A:HOH607 3.7 48.5 1.0 CB A:VAL369 4.2 52.9 1.0 O A:PRO264 4.3 50.0 1.0 CG2 A:VAL369 4.3 54.0 1.0 CG1 A:VAL369 4.3 53.1 1.0 CB A:GLN268 4.4 57.0 1.0 CA A:ALA265 4.5 51.3 1.0 C A:PRO264 4.6 49.5 1.0 N A:ALA265 4.7 49.6 1.0 CG A:GLN268 4.8 60.9 1.0

Iodine binding site 10 out of 12 in the Crystal Structure of L-Lysine 6-Monooxygenase From Pseudomonas Syringae


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 10 of Crystal Structure of L-Lysine 6-Monooxygenase From Pseudomonas Syringae within 5.0Å range: probe atom residue distance (Å) B Occ A:I510 b:43.1 occ:0.25 I A:IOD510 0.0 43.1 0.2 I A:IOD510 2.2 62.7 0.2 O A:HOH629 3.2 41.8 1.0 N A:ILE313 3.4 45.0 1.0 CB A:VAL312 3.9 46.7 1.0 CA A:VAL312 3.9 43.6 1.0 CD1 A:LEU207 4.0 47.6 1.0 CG1 A:VAL312 4.2 46.1 1.0 C A:VAL312 4.2 44.8 1.0 CB A:ILE313 4.2 46.7 1.0 CD2 A:LEU207 4.3 46.5 1.0 O A:ILE313 4.3 48.9 1.0 CA A:ILE313 4.3 45.9 1.0 CG1 A:ILE313 4.4 47.0 1.0 CG A:LEU207 4.7 45.7 1.0 C A:ILE313 4.8 47.2 1.0

K.Michalska, L.Bigelow, R.Jedrzejczak, R.S.Weerth, H.Cao, R.Yennamalli, G.N.Phillips Jr., M.G.Thomas, A.Joachimiak, Midwest Center For Structural Genomics (Mcsg), Enzyme Discovery For Natural Product Biosynthesis (Natpro). Crystal Structure of L-Lysine 6-Monooxygenase From Pseudomonas Syringae To Be Published.