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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 with APoc: 55
This union binding pocket(no: 1) in the query (biounit: 5m8t.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 5KOR GDP 1.34529
2 4BVA NDP 1.49254
3 5N5U 7N8 1.59236
4 1PVN MZP 1.59574
5 1MGP PLM 2.23642
6 1VPV PLM 2.33333
7 1KPG 16A 2.43902
8 1KPH 10A 2.43902
9 4ARE FLC 2.46637
10 1QO8 FAD 2.69058
11 6ALW BMJ 2.77778
12 6ALW BNV 2.77778
13 4NTD FAD 2.94118
14 4ZOH MCN 2.97619
15 1PZX PLM 3.11419
16 4JWF SAH 3.22581
17 2C43 COA 3.40557
18 2ZL4 ALA ALA ALA ALA 3.57143
19 1EU8 TRE 3.91198
20 3NMV PYV 3.93258
21 4JWH SAH 4.15335
22 3K0T BGC 4.1958
23 2FNU PMP UD1 4.26667
24 1KTG AMP 4.34783
25 4IJR NDP 4.36047
26 1KYQ NAD 4.37956
27 4X9X OLA 4.68227
28 1GEG GLC 4.6875
29 6CGN DA 4.70852
30 1T57 FMN 4.85437
31 3JRS A8S 5.28846
32 2P4Y C03 5.41516
33 6G47 SIA 5.74163
34 4M3P HCS 5.91133
35 3FYS PLM 6.34921
36 4TXJ THM 6.41892
37 5UGW GSH 6.85714
38 3HW5 AMP 6.89655
39 2GWH PCI 7.04698
40 1H2B NAJ 7.24234
41 1WMA AB3 7.6087
42 5YRF GLC GLC 7.74648
43 5YRJ BGC GLC 7.74648
44 5YRL GLC GLC 7.74648
45 5YRG BGC GLC 7.74648
46 3IS2 FAD 7.79221
47 1OE0 TTP 8.69565
48 3C2O NTM 10.8844
49 4QWT ACD 11.435
50 1XVB BHL BHL 12.3529
51 5FVJ ACO 14.4578
52 2DYS TGL 16.0714
53 2VWA PTY 18.8119
54 5NNT DPV 18.9189
55 6GSG RCO 31.8538
Pocket No.: 2; Query (leader) PDB : 5M8T; Ligand: 0TR; Similar sites found with APoc: 14
This union binding pocket(no: 2) in the query (biounit: 5m8t.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 5HV7 RBL 2.98165
2 1NU4 MLA 3.09278
3 2BES RES 3.48837
4 2HW2 RFP 3.4965
5 3B12 FAH 3.94737
6 4L2I FAD 4.91329
7 4J7U NAP 5.20833
8 4J7U YTZ 5.20833
9 1RL4 BL5 5.31915
10 1M2Z BOG 6.61479
11 4V24 GYR 6.73854
12 5IXK 6EW 7.89474
13 4AZ3 S35 9.03226
14 3KDJ A8S 12.6582
Pocket No.: 3; Query (leader) PDB : 5M8T; Ligand: 0TR; Similar sites found with APoc: 40
This union binding pocket(no: 3) in the query (biounit: 5m8t.bio4) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 1M21 PHE CSI LEU PHA 1.34529
2 2C78 PUL 1.48148
3 4BVA T3 1.49254
4 1ZGD NAP 1.60256
5 3KCC CMP 2.69231
6 4R38 RBF 2.85714
7 4CZG ADP 2.87356
8 4CZG QH3 2.87356
9 5YB7 ORN 2.9148
10 5YB7 FAD 2.9148
11 4I6G FAD 2.9148
12 5LNQ CAA 3.13901
13 2X6T ADP BMA 3.36134
14 3OND ADN 3.36323
15 3OND NAD 3.36323
16 4I53 1C1 3.63128
17 5JO1 6LM 4.1791
18 3KRB NAP 4.49102
19 2BGS NDP 4.65116
20 4KNL MUB ALA ZGL ALY DAL NH2 4.88889
21 2CVQ NDP 4.89297
22 4R57 ACO 5.11364
23 5M67 ADE 5.15695
24 5M67 3D1 5.15695
25 5M67 NAD 5.15695
26 4NNB OAA 5.15695
27 5EXW 7DT 5.25
28 3FPF TNA 6.37584
29 3FPF MTA 6.37584
30 1GHE ACO 6.77966
31 4O4K 2PK 6.84524
32 1YUC EPH 7.45098
33 2ZJ1 ARJ 7.62332
34 2ZJ1 NAD 7.62332
35 1SR7 MOF 7.72201
36 1ZDU P3A 7.7551
37 4EKQ NPO 10.1604
38 4POS NAG SIA GAL 10.7914
39 5Z84 TGL 16.0714
40 6GU6 1QK 23.8095
Pocket No.: 4; Query (leader) PDB : 5M8T; Ligand: 0TR; Similar sites found with APoc: 20
This union binding pocket(no: 4) in the query (biounit: 5m8t.bio3) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 2C5A NAD 1.05541
2 2C5A GDC 1.05541
3 3UES DFU 2.01794
4 6AMI TRP 2.0202
5 6CUZ FEV 2.31959
6 3TDC 0EU 2.46637
7 2JBZ COA 2.7972
8 1FRB ZST 3.1746
9 3O01 DXC 3.24675
10 4WEI GLC GAL 3.61011
11 2X61 NGA GAL SIA 3.87597
12 5A5W GUO 3.95257
13 1LQA NDP 4.91329
14 3AB3 GDP 6.62983
15 2P2V CSF 7.98611
16 1N8V BDD 9.82143
17 6H8S FSZ 10.9635
18 4ONA UW1 10.9865
19 1ZEI CRS 11.3208
20 1M5W DXP 16.8724
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