Zinc in PDB 9ey5: Crystal Structure of Human Tyrosinase-Related Protein 1 (TYRP1) in Complex with (S)-2,4-Dihydroxyphenylalanine

The structure of Crystal Structure of Human Tyrosinase-Related Protein 1 (TYRP1) in Complex with (S)-2,4-Dihydroxyphenylalanine, PDB code: 9ey5 was solved by Y.M.Ng, M.Soler-Lopez, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.33 / 2.61
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	103.152, 103.152, 138.509, 90, 90, 120
R / Rfree (%)	19.6 / 23.8

The binding sites of Zinc atom in the Crystal Structure of Human Tyrosinase-Related Protein 1 (TYRP1) in Complex with (S)-2,4-Dihydroxyphenylalanine (pdb code 9ey5). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the Crystal Structure of Human Tyrosinase-Related Protein 1 (TYRP1) in Complex with (S)-2,4-Dihydroxyphenylalanine, PDB code: 9ey5:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in the Crystal Structure of Human Tyrosinase-Related Protein 1 (TYRP1) in Complex with (S)-2,4-Dihydroxyphenylalanine


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of Human Tyrosinase-Related Protein 1 (TYRP1) in Complex with (S)-2,4-Dihydroxyphenylalanine within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn506 b:47.8 occ:1.00 O A:HOH625 2.0 48.8 1.0 NE2 A:HIS224 2.2 48.5 1.0 NE2 A:HIS192 2.2 45.6 1.0 NE2 A:HIS215 2.2 50.5 1.0 CE1 A:HIS224 3.0 49.7 1.0 CD2 A:HIS215 3.1 47.7 1.0 CD2 A:HIS192 3.2 50.2 1.0 CE1 A:HIS192 3.2 55.4 1.0 CE1 A:HIS215 3.3 51.0 1.0 CD2 A:HIS224 3.3 52.4 1.0 ZN A:ZN507 3.5 48.8 1.0 CZ A:PHE400 3.9 49.4 1.0 OH A:OTY502 3.9 62.7 1.0 CE2 A:PHE400 4.0 51.4 1.0 ND1 A:HIS224 4.2 51.0 1.0 NE2 A:HIS404 4.3 48.8 1.0 CG A:HIS215 4.3 52.0 1.0 ND1 A:HIS192 4.3 59.8 1.0 CG A:HIS192 4.3 50.3 1.0 ND1 A:HIS215 4.3 50.9 1.0 CG A:HIS224 4.4 50.8 1.0 CE1 A:HIS404 4.4 46.2 1.0 CE2 A:OTY502 4.4 65.8 1.0 CZ A:OTY502 4.6 70.0 1.0 CE1 A:PHE220 4.8 48.4 1.0 NE2 A:HIS377 4.9 45.8 1.0

Zinc binding site 2 out of 4 in the Crystal Structure of Human Tyrosinase-Related Protein 1 (TYRP1) in Complex with (S)-2,4-Dihydroxyphenylalanine


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of Human Tyrosinase-Related Protein 1 (TYRP1) in Complex with (S)-2,4-Dihydroxyphenylalanine within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn507 b:48.8 occ:1.00 O A:HOH625 1.9 48.8 1.0 NE2 A:HIS377 2.2 45.8 1.0 NE2 A:HIS404 2.2 48.8 1.0 NE2 A:HIS381 2.2 55.6 1.0 CE1 A:HIS404 2.7 46.2 1.0 CD2 A:HIS377 3.0 45.6 1.0 CE1 A:HIS381 3.1 52.0 1.0 CD2 A:HIS381 3.2 53.3 1.0 CE1 A:HIS377 3.3 46.3 1.0 CD2 A:HIS404 3.5 47.0 1.0 ZN A:ZN506 3.5 47.8 1.0 CE2 A:OTY502 3.9 65.8 1.0 ND1 A:HIS404 4.0 46.4 1.0 CE2 A:PHE400 4.0 51.4 1.0 OH A:OTY502 4.1 62.7 1.0 ND1 A:HIS381 4.1 57.8 1.0 CG A:HIS377 4.2 46.9 1.0 CZ A:OTY502 4.2 70.0 1.0 CG A:HIS381 4.2 59.3 1.0 NE2 A:HIS224 4.2 48.5 1.0 ND1 A:HIS377 4.3 49.9 1.0 CZ A:PHE400 4.3 49.4 1.0 CG A:HIS404 4.4 48.9 1.0 CD2 A:LEU403 4.5 45.5 1.0 CE1 A:PHE220 4.6 48.4 1.0 CD2 A:HIS224 4.6 52.4 1.0 CD2 A:OTY502 4.7 80.0 1.0 CD2 A:PHE400 4.8 53.9 1.0 CZ A:PHE220 4.9 43.7 1.0 CE1 A:HIS224 4.9 49.7 1.0

Zinc binding site 3 out of 4 in the Crystal Structure of Human Tyrosinase-Related Protein 1 (TYRP1) in Complex with (S)-2,4-Dihydroxyphenylalanine


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Crystal Structure of Human Tyrosinase-Related Protein 1 (TYRP1) in Complex with (S)-2,4-Dihydroxyphenylalanine within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn508 b:54.9 occ:1.00 OE2 A:GLU66 2.0 57.5 1.0 ND1 A:HIS100 2.3 60.6 1.0 O A:HOH629 2.4 55.2 1.0 O A:HOH616 2.4 59.7 1.0 CE1 A:HIS100 3.1 59.9 1.0 CG A:HIS100 3.2 57.6 1.0 CD A:GLU66 3.2 61.1 1.0 CB A:HIS100 3.6 56.5 1.0 OE1 A:GLU66 3.9 64.6 1.0 NH1 A:ARG64 4.1 55.3 1.0 OD1 A:ASN102 4.2 58.3 1.0 NE2 A:HIS100 4.2 67.3 1.0 O A:HIS100 4.2 52.4 1.0 CG A:GLU66 4.3 56.6 1.0 CD2 A:HIS100 4.3 59.0 1.0 CD A:ARG64 4.5 50.2 1.0 C A:HIS100 4.5 55.0 1.0 CB A:ARG64 4.6 56.1 1.0 CA A:HIS100 4.7 54.6 1.0 CG A:ARG64 4.8 53.4 1.0 O A:CYS101 5.0 58.7 1.0

Zinc binding site 4 out of 4 in the Crystal Structure of Human Tyrosinase-Related Protein 1 (TYRP1) in Complex with (S)-2,4-Dihydroxyphenylalanine


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Crystal Structure of Human Tyrosinase-Related Protein 1 (TYRP1) in Complex with (S)-2,4-Dihydroxyphenylalanine within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn509 b:69.8 occ:1.00 OE2 A:GLU88 2.1 72.5 1.0 NE2 A:HIS81 2.2 88.3 1.0 NE2 A:HIS75 2.2 69.4 1.0 CE1 A:HIS81 2.7 87.7 1.0 CD A:GLU88 2.8 67.1 1.0 OE1 A:GLU88 2.8 66.0 1.0 CE1 A:HIS75 3.0 73.1 1.0 CD2 A:HIS81 3.3 93.8 1.0 CD2 A:HIS75 3.3 71.1 1.0 ND1 A:HIS81 3.9 90.7 1.0 CG A:HIS81 4.2 97.3 1.0 ND1 A:HIS75 4.2 73.3 1.0 CG A:GLU88 4.2 60.9 1.0 CG A:HIS75 4.4 73.0 1.0 CD1 A:ILE432 4.5 57.0 1.0 CA A:GLY83 4.6 87.2 1.0

C.Faure, Y.M.Ng, C.Belle, M.Soler-Lopez, L.Khettabi, M.Saidi, N.Berthet, M.Maresca, C.Philouze, W.Rachidi, M.Reglier, A.Du Moullinet D'hardemare, H.Jamet. Interactions of Phenylalanine Derivatives with Human Tyrosinase: Lessons From Experimental and Theoretical Studies. Chembiochem 00235 2024.
ISSN: ESSN 1439-7633
PubMed: 38642076
DOI: 10.1002/CBIC.202400235