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 2 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: 76
No: Ligand ECFP6 Tc MDL keys Tc
1 XGP 1 1
2 M1P 1 1
3 G1P 1 1
4 GL1 1 1
5 R1P 0.852941 0.904762
6 GP1 0.533333 0.833333
7 GFP 0.533333 0.909091
8 TRE 0.525 0.697674
9 MBG 0.512195 0.674419
10 GYP 0.512195 0.674419
11 MMA 0.512195 0.674419
12 AMG 0.512195 0.674419
13 T6P 0.5 0.930233
14 G16 0.5 0.928571
15 GN1 0.480769 0.754717
16 NG1 0.480769 0.754717
17 MVP 0.472727 0.888889
18 YO5 0.454545 0.883721
19 GPM 0.454545 0.883721
20 2M8 0.44 0.714286
21 ALX 0.434783 1
22 BNX 0.434783 1
23 GMB 0.433962 0.928571
24 56N 0.431373 0.697674
25 RGG 0.428571 0.690476
26 GAT 0.423077 0.6
27 MAN BMA 0.423077 0.697674
28 GLA BGC 0.423077 0.697674
29 MLB 0.423077 0.697674
30 GLA BMA 0.423077 0.697674
31 GLA GLC 0.423077 0.697674
32 BGC GLA 0.423077 0.697674
33 GAL GAL 0.423077 0.697674
34 LAK 0.423077 0.697674
35 BMA GLA 0.423077 0.697674
36 MK0 0.42029 0.75
37 DEG 0.42 0.617021
38 GAL PHB 0.418182 0.681818
39 MAN MMA 0.415094 0.666667
40 BGC BGC 0.411765 0.697674
41 GLA MBG 0.411765 0.666667
42 MAN MAN 0.411765 0.697674
43 2M4 0.411765 0.697674
44 LAT GLA 0.411765 0.697674
45 SER MAN 0.407407 0.625
46 MAN MAN MAN 0.407407 0.697674
47 GLC GLC GLC GLC BGC 0.407407 0.697674
48 GLC GLC GLC GLC GLC BGC 0.407407 0.697674
49 GLC GLC GLC 0.407407 0.697674
50 EBG 0.403846 0.630435
51 N9S 0.403846 0.697674
52 LB2 0.403846 0.697674
53 M3M 0.403846 0.697674
54 LAT 0.403846 0.697674
55 LBT 0.403846 0.697674
56 BGC GLC 0.403846 0.697674
57 BGC GAL 0.403846 0.697674
58 BMA GAL 0.403846 0.697674
59 GAL BGC 0.403846 0.697674
60 CBK 0.403846 0.697674
61 EBQ 0.403846 0.630435
62 GAL GLC 0.403846 0.697674
63 MAB 0.403846 0.697674
64 GLA GAL 0.403846 0.697674
65 BMA BMA 0.403846 0.697674
66 GLC GAL 0.403846 0.697674
67 B2G 0.403846 0.697674
68 CBI 0.403846 0.697674
69 MAL MAL 0.403846 0.681818
70 MAN GLC 0.403846 0.697674
71 BGC BMA 0.403846 0.697674
72 MAL 0.403846 0.697674
73 GLA GLA 0.403846 0.697674
74 GLC BGC 0.403846 0.697674
75 SUP 0.403226 0.888889
76 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: 28
This union binding pocket(no: 1) in the query (biounit: 5in3.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4AMV F6R 0.0131 0.41034 0.997506
2 2P53 NNG 0.01048 0.42075 1.83246
3 1GP6 DH2 0.02655 0.40597 1.96629
4 1GP6 SIN 0.02655 0.40597 1.96629
5 1GP6 QUE 0.02811 0.40597 1.96629
6 5IRN ADP 0.01317 0.41073 1.99501
7 2R4J 13P 0.04369 0.42191 2.24439
8 2R4J FAD 0.04369 0.42191 2.24439
9 1IY8 NAD 0.04113 0.40466 2.24719
10 3NKS FAD 0.03491 0.41969 2.74314
11 3WBD SIA SIA SIA SIA SIA SIA SIA 0.01939 0.40279 2.74314
12 2CNE DFJ 0.01915 0.42985 2.96053
13 5BR4 NAD 0.03786 0.40933 3.32481
14 1FEC FAD 0.03644 0.41717 3.49127
15 4ZKD GDP 0.02193 0.41544 3.49127
16 4IVN BMX 0.004804 0.43598 3.59712
17 4XFR CIT 0.01059 0.4017 3.74065
18 3A0T ADP 0.02363 0.40275 3.94737
19 4J36 1HR 0.03653 0.4249 4.2394
20 4J36 FAD 0.02818 0.42428 4.2394
21 4KVX ACO 0.03824 0.40056 4.48718
22 5K3W PLP 0.009525 0.42486 4.79233
23 2WET FAD 0.02478 0.42724 4.98753
24 5BUK FAD 0.04376 0.41879 5.73566
25 1D6S PLP MET 0.02604 0.40143 7.45342
26 5JBX COA 0.02124 0.40226 8.04598
27 2E27 AB0 0.0025 0.44374 9.52381
28 1YQZ FAD 0.04227 0.42308 9.97506
Pocket No.: 2; Query (leader) PDB : 5IN3; Ligand: G1P; Similar sites found: 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 P-value (APoc) PS_Score (APoc) Sequence Similarity
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