Copper in PDB 6rrp: Crystal Structure of Tyrosinase Pvdp From Pseudomonas Aeruginosa Bound to Copper and Phenylthiourea

The structure of Crystal Structure of Tyrosinase Pvdp From Pseudomonas Aeruginosa Bound to Copper and Phenylthiourea, PDB code: 6rrp was solved by J.P.Wibowo, F.A.Batista, N.Van Oosterwijk, M.R.Groves, F.J.Dekker, W.J.Quax, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.56 / 2.40
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	50.239, 113.880, 100.577, 90.00, 94.34, 90.00
R / Rfree (%)	19.5 / 25.4

The binding sites of Copper atom in the Crystal Structure of Tyrosinase Pvdp From Pseudomonas Aeruginosa Bound to Copper and Phenylthiourea (pdb code 6rrp). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 4 binding sites of Copper where determined in the Crystal Structure of Tyrosinase Pvdp From Pseudomonas Aeruginosa Bound to Copper and Phenylthiourea, PDB code: 6rrp:
Jump to Copper binding site number: 1; 2; 3; 4;

Copper binding site 1 out of 4 in the Crystal Structure of Tyrosinase Pvdp From Pseudomonas Aeruginosa Bound to Copper and Phenylthiourea


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Crystal Structure of Tyrosinase Pvdp From Pseudomonas Aeruginosa Bound to Copper and Phenylthiourea within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu602 b:94.6 occ:1.00 NE2 A:HIS220 2.3 39.7 1.0 NE2 A:HIS271 2.4 34.1 1.0 NE2 A:HIS216 2.5 55.8 1.0 CU A:CU603 3.1 0.5 1.0 CE1 A:HIS220 3.2 44.5 1.0 CD2 A:HIS220 3.3 40.2 1.0 CD2 A:HIS216 3.3 55.9 1.0 CD2 A:HIS271 3.3 34.3 1.0 CE1 A:HIS271 3.4 35.2 1.0 CE1 A:HIS216 3.5 55.8 1.0 OH A:TYR531 4.1 62.7 1.0 CE A:MET270 4.1 47.3 1.0 ND1 A:HIS220 4.3 45.5 1.0 CG A:HIS220 4.4 39.8 1.0 ND1 A:HIS271 4.5 40.6 1.0 CG A:HIS216 4.5 53.0 1.0 CG A:HIS271 4.5 37.1 1.0 ND1 A:HIS216 4.5 55.6 1.0 CE1 A:HIS375 4.5 39.4 1.0 NE2 A:HIS375 4.6 34.1 1.0 CE2 A:PHE428 4.7 40.4 1.0 CE A:MET274 4.7 65.1 1.0 NE2 A:HIS432 4.8 39.8 1.0 CE1 A:HIS432 4.9 41.2 1.0 CZ A:PHE428 4.9 46.0 1.0 CZ3 A:TRP219 5.0 47.1 1.0

Copper binding site 2 out of 4 in the Crystal Structure of Tyrosinase Pvdp From Pseudomonas Aeruginosa Bound to Copper and Phenylthiourea


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of Crystal Structure of Tyrosinase Pvdp From Pseudomonas Aeruginosa Bound to Copper and Phenylthiourea within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu603 b:0.5 occ:1.00 NE2 A:HIS375 2.3 34.1 1.0 NE2 A:HIS432 2.4 39.8 1.0 NE2 A:HIS379 2.7 41.5 1.0 CE1 A:HIS375 2.8 39.4 1.0 CE1 A:HIS432 3.0 41.2 1.0 CU A:CU602 3.1 94.6 1.0 CE1 A:HIS379 3.3 42.1 1.0 CE2 A:PHE428 3.5 40.4 1.0 CD2 A:HIS375 3.5 32.5 1.0 CD2 A:HIS432 3.6 39.3 1.0 OH A:TYR531 3.6 62.7 1.0 NE2 A:HIS271 3.8 34.1 1.0 CD2 A:HIS379 3.9 39.8 1.0 ND1 A:HIS375 4.1 32.0 1.0 ND1 A:HIS432 4.2 41.2 1.0 CD2 A:PHE428 4.2 45.0 1.0 CD2 A:HIS271 4.2 34.3 1.0 CZ A:PHE428 4.2 46.0 1.0 CG A:HIS375 4.4 37.5 1.0 ND1 A:HIS379 4.5 42.1 1.0 CG A:HIS432 4.5 40.1 1.0 CZ A:TYR531 4.5 68.6 1.0 CE1 A:HIS271 4.6 35.2 1.0 NE2 A:HIS220 4.6 39.7 1.0 NE2 A:HIS216 4.7 55.8 1.0 CG A:HIS379 4.8 43.9 1.0 CE1 A:HIS216 4.9 55.8 1.0 OG A:SER422 4.9 39.5 1.0 CE1 A:PHE431 5.0 38.8 1.0

Copper binding site 3 out of 4 in the Crystal Structure of Tyrosinase Pvdp From Pseudomonas Aeruginosa Bound to Copper and Phenylthiourea


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 3 of Crystal Structure of Tyrosinase Pvdp From Pseudomonas Aeruginosa Bound to Copper and Phenylthiourea within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu602 b:86.5 occ:1.00 NE2 B:HIS220 2.2 35.1 1.0 NE2 B:HIS216 2.5 42.0 1.0 NE2 B:HIS271 2.7 37.4 1.0 CE1 B:HIS220 3.0 33.5 1.0 CD2 B:HIS220 3.3 33.6 1.0 CD2 B:HIS216 3.4 46.1 1.0 CE1 B:HIS216 3.4 44.5 1.0 CE1 B:HIS271 3.6 38.6 1.0 CD2 B:HIS271 3.6 36.5 1.0 OH B:TYR531 3.7 53.7 1.0 CU B:CU603 4.1 0.1 1.0 ND1 B:HIS220 4.1 35.0 1.0 CE2 B:PHE428 4.3 34.2 1.0 CE B:MET270 4.3 45.0 1.0 CG B:HIS220 4.3 33.7 1.0 CZ B:PHE428 4.4 38.1 1.0 CE B:MET274 4.5 61.9 1.0 NE2 B:HIS375 4.5 35.5 1.0 CG B:HIS216 4.5 42.4 1.0 ND1 B:HIS216 4.5 46.8 1.0 NE2 B:HIS432 4.6 37.0 1.0 ND1 B:HIS271 4.7 41.0 1.0 CE1 B:HIS432 4.7 38.2 1.0 CG B:HIS271 4.7 35.9 1.0 CE1 B:HIS375 4.8 40.3 1.0 CB B:PRO419 4.9 36.1 1.0

Copper binding site 4 out of 4 in the Crystal Structure of Tyrosinase Pvdp From Pseudomonas Aeruginosa Bound to Copper and Phenylthiourea


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 4 of Crystal Structure of Tyrosinase Pvdp From Pseudomonas Aeruginosa Bound to Copper and Phenylthiourea within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu603 b:0.1 occ:1.00 NE2 B:HIS432 1.9 37.0 1.0 NE2 B:HIS375 2.2 35.5 1.0 NE2 B:HIS379 2.3 32.5 1.0 CE1 B:HIS432 2.7 38.2 1.0 CD2 B:HIS375 3.0 38.3 1.0 CD2 B:HIS432 3.1 31.7 1.0 CE1 B:HIS379 3.2 34.6 1.0 CE1 B:HIS375 3.2 40.3 1.0 CD2 B:HIS379 3.4 32.8 1.0 ND1 B:HIS432 3.8 35.3 1.0 CE2 B:PHE428 3.9 34.2 1.0 CE1 B:PHE431 3.9 31.6 1.0 CG B:HIS375 4.1 39.1 1.0 CG B:HIS432 4.1 33.4 1.0 CU B:CU602 4.1 86.5 1.0 ND1 B:HIS375 4.1 37.6 1.0 NE2 B:HIS271 4.2 37.4 1.0 CD2 B:PHE428 4.3 33.7 1.0 OH B:TYR531 4.3 53.7 1.0 ND1 B:HIS379 4.3 34.8 1.0 CG B:HIS379 4.5 34.3 1.0 CZ B:PHE428 4.5 38.1 1.0 CD2 B:HIS271 4.5 36.5 1.0 CZ B:PHE431 4.6 32.0 1.0 CD1 B:PHE431 4.9 29.9 1.0 CZ B:TYR531 4.9 67.0 1.0

J.P.Wibowo, F.A.Batista, N.Van Oosterwijk, M.R.Groves, F.J.Dekker, W.J.Quax. A Novel Mechanism of Inhibition By Phenylthiourea on Pvdp, A Tyrosinase Synthesizing Pyoverdine of Pseudomonas Aeruginosa. Int.J.Biol.Macromol. V. 146 212 2020.
ISSN: ISSN 0141-8130
PubMed: 31899238
DOI: 10.1016/J.IJBIOMAC.2019.12.252