Receptor
PDB id Resolution Class Description Source Keywords
1ZN7 1.83 Å EC: 2.4.2.7 HUMAN ADENINE PHOSPHORIBOSYLTRANSFERASE COMPLEXED WITH PRPP, R5P HOMO SAPIENS TRANSFERASE GLYCOSYLTRANSFERASE PURINE SALVAGE
Ref.: STRUCTURAL COMPLEXES OF HUMAN ADENINE PHOSPHORIBOSYLTRANSFERASE REVEAL NOVEL FEATURES OF CATALYTIC MECHANISM J.BIOMOL.STRUCT.DYN. V. 25 589 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ADE A:655;
B:656;
Valid;
Valid;
none;
none;
submit data
135.127 C5 H5 N5 c1[nH...
HSX A:506;
B:507;
Valid;
Valid;
none;
none;
submit data
230.11 C5 H11 O8 P C([C@...
MG PO4 A:500;
Invalid;
none;
submit data n/a n/a n/a n/a
PRP A:505;
A:502;
Valid;
Valid;
none;
none;
submit data
390.07 C5 H13 O14 P3 C([C@...
PO4 A:504;
Invalid;
none;
submit data
94.971 O4 P [O-]P...
MG A:500;
Invalid;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6FCH 1.45 Å EC: 2.4.2.7 CRYSTAL STRUCTURE OF HUMAN APRT WILD TYPE IN COMPLEX WITH PR MG2+ HOMO SAPIENS ROSSMAN FOLD TRANSFERASE
Ref.: STRUCTURAL INSIGHTS INTO THE FORWARD AND REVERSE EN REACTIONS IN HUMAN ADENINE PHOSPHORIBOSYLTRANSFERAS CELL CHEM BIOL V. 25 666 2018
Members (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 6FD4 - PRP C5 H13 O14 P3 C([C@@H]1[....
2 6FCL - AMP C10 H14 N5 O7 P c1nc(c2c(n....
3 6FCH - PRP C5 H13 O14 P3 C([C@@H]1[....
4 6FD6 - AMP C10 H14 N5 O7 P c1nc(c2c(n....
5 1ZN8 - AMP C10 H14 N5 O7 P c1nc(c2c(n....
6 6FD5 - PPV H4 O7 P2 OP(=O)(O)O....
7 1ZN7 - HSX C5 H11 O8 P C([C@@H]1[....
8 1ORE - AMP C10 H14 N5 O7 P c1nc(c2c(n....
9 6FCI - PRP C5 H13 O14 P3 C([C@@H]1[....
10 1ZN9 - AMP C10 H14 N5 O7 P c1nc(c2c(n....
70% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 6FD4 - PRP C5 H13 O14 P3 C([C@@H]1[....
2 6FCL - AMP C10 H14 N5 O7 P c1nc(c2c(n....
3 6FCH - PRP C5 H13 O14 P3 C([C@@H]1[....
4 6FD6 - AMP C10 H14 N5 O7 P c1nc(c2c(n....
5 1ZN8 - AMP C10 H14 N5 O7 P c1nc(c2c(n....
6 6FD5 - PPV H4 O7 P2 OP(=O)(O)O....
7 1ZN7 - HSX C5 H11 O8 P C([C@@H]1[....
8 1ORE - AMP C10 H14 N5 O7 P c1nc(c2c(n....
9 6FCI - PRP C5 H13 O14 P3 C([C@@H]1[....
10 1ZN9 - AMP C10 H14 N5 O7 P c1nc(c2c(n....
50% Homology Family (15)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 5VJP Ki = 14.9 uM IR9 C6 H15 N O10 P2 C([C@H]1[C....
2 5VJN Ki = 8.7 uM IR8 C6 H15 N O10 P2 C([C@@H]1[....
3 5YW5 - ADE C5 H5 N5 c1[nH]c2c(....
4 1L1Q - 9DA C6 H6 N4 c1c[nH]c2c....
5 1L1R - PRP C5 H13 O14 P3 C([C@@H]1[....
6 6FD4 - PRP C5 H13 O14 P3 C([C@@H]1[....
7 6FCL - AMP C10 H14 N5 O7 P c1nc(c2c(n....
8 6FCH - PRP C5 H13 O14 P3 C([C@@H]1[....
9 6FD6 - AMP C10 H14 N5 O7 P c1nc(c2c(n....
10 1ZN8 - AMP C10 H14 N5 O7 P c1nc(c2c(n....
11 6FD5 - PPV H4 O7 P2 OP(=O)(O)O....
12 1ZN7 - HSX C5 H11 O8 P C([C@@H]1[....
13 1ORE - AMP C10 H14 N5 O7 P c1nc(c2c(n....
14 6FCI - PRP C5 H13 O14 P3 C([C@@H]1[....
15 1ZN9 - AMP C10 H14 N5 O7 P c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ADE; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 ADE 1 1
2 PM6 0.5 0.742857
3 ES4 0.463415 0.685714
4 6AP 0.428571 0.9375
5 XQG 0.422222 0.648649
6 M02 0.411765 0.630435
Ligand no: 2; Ligand: HSX; Similar ligands found: 43
No: Ligand ECFP6 Tc MDL keys Tc
1 ABF 1 1
2 HSX 1 1
3 RP5 1 1
4 A6P 0.8 0.902439
5 M6P 0.8 0.902439
6 G6P 0.8 0.902439
7 BGP 0.8 0.902439
8 M6D 0.8 0.902439
9 BG6 0.8 0.902439
10 AHG 0.676471 0.880952
11 GLP 0.634146 0.755102
12 4R1 0.634146 0.755102
13 RF5 0.615385 0.883721
14 50A 0.615385 0.883721
15 GRF 0.589744 0.76
16 NNG 0.565217 0.685185
17 16G 0.553191 0.685185
18 4QY 0.553191 0.685185
19 BMX 0.553191 0.685185
20 FDQ 0.547619 0.860465
21 RI2 0.534884 0.95
22 XYT 0.5 0.822222
23 PRP 0.5 0.975
24 G16 0.5 0.860465
25 D6G 0.5 0.860465
26 1FT 0.490909 0.770833
27 N 0.47619 0.860465
28 PPC 0.469388 0.906977
29 T6P 0.469388 0.822222
30 Z6J 0.441176 0.675
31 RIB 0.441176 0.675
32 FUB 0.441176 0.675
33 32O 0.441176 0.675
34 AHR 0.441176 0.675
35 P3M 0.440678 0.822222
36 IRN 0.425926 0.606557
37 FGR 0.410714 0.655172
38 FUB AHR 0.404255 0.690476
39 F6P 0.404255 0.906977
40 TA6 0.404255 0.906977
41 AHR AHR 0.404255 0.690476
42 ALX 0.4 0.880952
43 BNX 0.4 0.880952
Ligand no: 3; Ligand: PRP; Similar ligands found: 24
No: Ligand ECFP6 Tc MDL keys Tc
1 PRP 1 1
2 RI2 0.695652 0.975
3 PPC 0.615385 0.930233
4 G16 0.588235 0.883721
5 M6D 0.5 0.880952
6 AHG 0.5 0.904762
7 A6P 0.5 0.880952
8 RP5 0.5 0.975
9 T6P 0.5 0.804348
10 G6P 0.5 0.880952
11 HSX 0.5 0.975
12 M6P 0.5 0.880952
13 ABF 0.5 0.975
14 BGP 0.5 0.880952
15 BG6 0.5 0.880952
16 XYT 0.453125 0.804348
17 GRF 0.45098 0.745098
18 P3M 0.426471 0.804348
19 FDQ 0.425926 0.883721
20 50A 0.415094 0.863636
21 RF5 0.415094 0.863636
22 R1P 0.411765 0.951219
23 GLP 0.410714 0.74
24 4R1 0.410714 0.74
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6FCH; Ligand: PRP; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 6fch.bio1) has 49 residues
No: Leader PDB Ligand Sequence Similarity
1 4P83 U5P 29.2135
Pocket No.: 2; Query (leader) PDB : 6FCH; Ligand: PRP; 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: 6fch.bio1) has 48 residues
No: Leader PDB Ligand Sequence Similarity
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