Receptor
PDB id Resolution Class Description Source Keywords
5M8T 2.35 Å EC: 1.14.18.- CRYSTAL STRUCTURE OF HUMAN TYROSINASE RELATED PROTEIN 1 (T39 Y362F) IN COMPLEX WITH TROPOLONE HOMO SAPIENS HUMAN TYROSINASE RELATED PROTEIN 1 MELANIN BIOSYNTHESIS TYOXIDOREDUCTASE UNKNOWN FUNCTION
Ref.: STRUCTURE OF HUMAN TYROSINASE RELATED PROTEIN 1 REV BINUCLEAR ZINC ACTIVE SITE IMPORTANT FOR MELANOGENE ANGEW. CHEM. INT. ED. ENGL. V. 56 9812 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAG NAG MAN B:510;
C:504;
Invalid;
Invalid;
none;
none;
submit data n/a n/a n/a n/a
NAG NAG FUC D:501;
C:501;
A:501;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data n/a n/a n/a n/a
ZN C:514;
A:511;
A:512;
B:516;
C:515;
B:515;
D:516;
D:517;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
65.409 Zn [Zn+2...
NAG NAG C:512;
C:510;
A:506;
D:508;
B:508;
D:514;
B:513;
C:508;
A:509;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
408.404 n/a O=C(N...
NAG A:508;
C:507;
Invalid;
Invalid;
none;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
0TR C:516;
A:513;
D:518;
B:517;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
122.121 C7 H6 O2 C1=CC...
NAG NAG FUC MAN D:510;
D:504;
Invalid;
Invalid;
none;
none;
submit data n/a n/a n/a n/a
NAG FUC B:506;
A:504;
Invalid;
Invalid;
none;
none;
submit data
367.351 n/a O=C(N...
NAG NAG FUC MAN MAN B:501;
Invalid;
none;
submit data n/a n/a n/a n/a
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5M8T 2.35 Å EC: 1.14.18.- CRYSTAL STRUCTURE OF HUMAN TYROSINASE RELATED PROTEIN 1 (T39 Y362F) IN COMPLEX WITH TROPOLONE HOMO SAPIENS HUMAN TYROSINASE RELATED PROTEIN 1 MELANIN BIOSYNTHESIS TYOXIDOREDUCTASE UNKNOWN FUNCTION
Ref.: STRUCTURE OF HUMAN TYROSINASE RELATED PROTEIN 1 REV BINUCLEAR ZINC ACTIVE SITE IMPORTANT FOR MELANOGENE ANGEW. CHEM. INT. ED. ENGL. V. 56 9812 2017
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5M8O - 0TR C7 H6 O2 C1=CC=C(C(....
2 5M8T - 0TR C7 H6 O2 C1=CC=C(C(....
3 5M8R - MMS C8 H10 N2 O4 C1=CN(C=C(....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5M8O - 0TR C7 H6 O2 C1=CC=C(C(....
2 5M8T - 0TR C7 H6 O2 C1=CC=C(C(....
3 5M8R - MMS C8 H10 N2 O4 C1=CN(C=C(....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5M8O - 0TR C7 H6 O2 C1=CC=C(C(....
2 5M8T - 0TR C7 H6 O2 C1=CC=C(C(....
3 5M8R - MMS C8 H10 N2 O4 C1=CN(C=C(....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 0TR; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 0TR 1 1
2 7CZ 0.4 0.6
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5M8T; Ligand: 0TR; Similar sites found: 20
This union binding pocket(no: 1) in the query (biounit: 5m8t.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5KOR GDP 0.01649 0.41158 1.34529
2 4BI7 PGA 0.02634 0.41248 1.94553
3 1VPV PLM 0.009223 0.4326 2.33333
4 4ARE FLC 0.005147 0.41733 2.46637
5 1QO8 FAD 0.01909 0.43347 2.69058
6 1PZX PLM 0.02912 0.40045 3.11419
7 2C43 COA 0.008491 0.42982 3.40557
8 2ZL4 ALA ALA ALA ALA 0.01176 0.40421 3.57143
9 4JWH SAH 0.02477 0.40411 4.15335
10 1KTG AMP 0.008125 0.4151 4.34783
11 1GEG GLC 0.007511 0.43026 4.6875
12 3JRS A8S 0.01639 0.40809 5.28846
13 4TXJ THM 0.02336 0.41649 6.41892
14 5UGW GSH 0.01612 0.41116 6.85714
15 3HW5 AMP 0.01266 0.40251 6.89655
16 4ZOM 4Q3 0.03405 0.43605 8
17 1OE0 TTP 0.01534 0.421 8.69565
18 4QWT ACD 0.02737 0.40773 11.435
19 1XVB BHL BHL 0.01306 0.4035 12.3529
20 2VWA PTY 0.02758 0.40445 18.8119
Pocket No.: 2; Query (leader) PDB : 5M8T; Ligand: 0TR; Similar sites found: 5
This union binding pocket(no: 2) in the query (biounit: 5m8t.bio2) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2HW2 RFP 0.02894 0.40214 3.4965
2 3B12 FAH 0.01564 0.4016 3.94737
3 1RL4 BL5 0.01444 0.40556 5.31915
4 4V24 GYR 0.04866 0.40041 6.73854
5 3KDJ A8S 0.02466 0.40084 12.6582
Pocket No.: 3; Query (leader) PDB : 5M8T; Ligand: 0TR; Similar sites found: 14
This union binding pocket(no: 3) in the query (biounit: 5m8t.bio4) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4I54 1C1 0.01784 0.42405 2.54958
2 4CZG QH3 0.04376 0.40847 2.87356
3 4CZG ADP 0.04201 0.40847 2.87356
4 2X6T ADP BMA 0.01975 0.40894 3.36134
5 4I53 1C1 0.02911 0.40081 3.63128
6 5JO1 6LM 0.02696 0.40208 4.1791
7 3KRB NAP 0.02872 0.41112 4.49102
8 5M67 3D1 0.01158 0.45066 5.15695
9 5M67 ADE 0.01319 0.44723 5.15695
10 5M67 NAD 0.03187 0.42551 5.15695
11 1GHE ACO 0.03359 0.40098 6.77966
12 1SR7 MOF 0.03551 0.40934 7.72201
13 4EKQ NPO 0.01783 0.40104 10.1604
14 4POS NAG SIA GAL 0.01541 0.40235 10.7914
Pocket No.: 4; Query (leader) PDB : 5M8T; Ligand: 0TR; Similar sites found: 5
This union binding pocket(no: 4) in the query (biounit: 5m8t.bio3) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3TDC 0EU 0.0119 0.41631 2.46637
2 1FRB ZST 0.04674 0.40635 3.1746
3 4WEI GLC GAL 0.02905 0.40032 3.61011
4 5A5W GUO 0.02579 0.41945 3.95257
5 3AB3 GDP 0.01479 0.40956 6.62983
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