Receptor
PDB id Resolution Class Description Source Keywords
5IN3 1.73 Å EC: 2.7.7.12 CRYSTAL STRUCTURE OF GLUCOSE-1-PHOSPHATE BOUND NUCLEOTIDYLAT GALACTOSE-1-PHOSPHATE URIDYLYLTRANSFERASE HOMO SAPIENS GALT UMP-GALT GLUCOSE-1-PHOSPHATE GALACTOSE-1-PHOSPHATE URIDYLYLTRANSFERASE TRANSFERASE
Ref.: MOLECULAR BASIS OF CLASSIC GALACTOSEMIA FROM THE ST OF HUMAN GALACTOSE 1-PHOSPHATE URIDYLYLTRANSFERASE. HUM.MOL.GENET. V. 25 2234 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO B:415;
B:408;
B:405;
B:412;
A:407;
B:406;
A:406;
A:409;
B:409;
A:404;
A:410;
B:414;
A:405;
B:410;
B:407;
B:404;
A:411;
B:416;
A:412;
B:417;
A:403;
A:415;
B:413;
A:414;
A:413;
A:408;
B:403;
B:411;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
H2U A:402;
B:402;
Invalid;
Invalid;
none;
none;
submit data
326.197 C9 H15 N2 O9 P C1CN(...
ZN B:401;
A:401;
Part of Protein;
Part of Protein;
none;
none;
submit data
65.409 Zn [Zn+2...
G1P A:416;
B:418;
Valid;
Valid;
none;
none;
submit data
260.136 C6 H13 O9 P C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5IN3 1.73 Å EC: 2.7.7.12 CRYSTAL STRUCTURE OF GLUCOSE-1-PHOSPHATE BOUND NUCLEOTIDYLAT GALACTOSE-1-PHOSPHATE URIDYLYLTRANSFERASE HOMO SAPIENS GALT UMP-GALT GLUCOSE-1-PHOSPHATE GALACTOSE-1-PHOSPHATE URIDYLYLTRANSFERASE TRANSFERASE
Ref.: MOLECULAR BASIS OF CLASSIC GALACTOSEMIA FROM THE ST OF HUMAN GALACTOSE 1-PHOSPHATE URIDYLYLTRANSFERASE. HUM.MOL.GENET. V. 25 2234 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 5IN3 - G1P C6 H13 O9 P C([C@@H]1[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 5IN3 - G1P C6 H13 O9 P C([C@@H]1[....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5IN3 - G1P C6 H13 O9 P C([C@@H]1[....
2 1HXP - U5P C9 H13 N2 O9 P C1=CN(C(=O....
3 1GUQ - GUD C15 H24 N2 O17 P2 C1=CN(C(=O....
4 1GUP - GDU C15 H24 N2 O17 P2 C1=CN(C(=O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: G1P; Similar ligands found: 78
No: Ligand ECFP6 Tc MDL keys Tc
1 XGP 1 1
2 GL1 1 1
3 M1P 1 1
4 G1P 1 1
5 R1P 0.852941 0.904762
6 RI2 0.533333 0.837209
7 GFP 0.533333 0.909091
8 GP1 0.533333 0.833333
9 TRE 0.525 0.697674
10 MMA 0.512195 0.674419
11 MBG 0.512195 0.674419
12 GYP 0.512195 0.674419
13 AMG 0.512195 0.674419
14 T6P 0.5 0.930233
15 G16 0.5 0.928571
16 GN1 0.480769 0.754717
17 NG1 0.480769 0.754717
18 MVP 0.472727 0.888889
19 BQZ 0.456522 0.707317
20 YO5 0.454545 0.883721
21 GPM 0.454545 0.883721
22 2M8 0.44 0.714286
23 BNX 0.434783 1
24 ALX 0.434783 1
25 GMB 0.433962 0.928571
26 56N 0.431373 0.697674
27 RGG 0.428571 0.690476
28 BGC GLC 0.423077 0.697674
29 BGC GLA 0.423077 0.697674
30 MLB 0.423077 0.697674
31 GLC BGC 0.423077 0.697674
32 GAL GAL 0.423077 0.697674
33 GLA GLC 0.423077 0.697674
34 GLC GLC 0.423077 0.697674
35 MAN BMA 0.423077 0.697674
36 GAL GLC 0.423077 0.697674
37 LAK 0.423077 0.697674
38 BMA GLA 0.423077 0.697674
39 GLA BGC 0.423077 0.697674
40 MAN MAN 0.423077 0.697674
41 GLA BMA 0.423077 0.697674
42 GAT 0.423077 0.6
43 BMA MAN 0.423077 0.697674
44 MK0 0.42029 0.75
45 DEG 0.42 0.617021
46 GAL PHB 0.418182 0.681818
47 MAN MMA 0.415094 0.666667
48 GLA MBG 0.411765 0.666667
49 LAT GLA 0.411765 0.697674
50 2M4 0.411765 0.697674
51 GLC GLC GLC GLC BGC 0.407407 0.697674
52 GLC GLC GLC 0.407407 0.697674
53 GLC GLC GLC GLC GLC BGC 0.407407 0.697674
54 MAN MAN MAN 0.407407 0.697674
55 BMA MAN MAN 0.407407 0.697674
56 LAT 0.403846 0.697674
57 BGC BMA 0.403846 0.697674
58 GLC GAL 0.403846 0.697674
59 MAN GLC 0.403846 0.697674
60 NGR 0.403846 0.697674
61 MAB 0.403846 0.697674
62 N9S 0.403846 0.697674
63 MAL 0.403846 0.697674
64 GLA GAL 0.403846 0.697674
65 GAL BGC 0.403846 0.697674
66 BGC GAL 0.403846 0.697674
67 EBG 0.403846 0.630435
68 M3M 0.403846 0.697674
69 BMA GAL 0.403846 0.697674
70 LBT 0.403846 0.697674
71 CBK 0.403846 0.697674
72 LB2 0.403846 0.697674
73 B2G 0.403846 0.697674
74 GLA GLA 0.403846 0.697674
75 EBQ 0.403846 0.630435
76 CBI 0.403846 0.697674
77 SUP 0.403226 0.888889
78 GAL FUC 0.4 0.697674
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5IN3; Ligand: G1P; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 5in3.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5IN3; Ligand: G1P; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 5in3.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
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