-->
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: 92
This union binding pocket(no: 1) in the query (biounit: 6fch.bio1) has 49 residues
No: Leader PDB Ligand Sequence Similarity
1 2RDK MAN MAN None
2 3GXZ NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN None
3 2BS5 BGC GAL FUC None
4 1UPF URF 1.68539
5 2PS1 PRP 1.68539
6 2PS1 ORO 1.68539
7 5MQW GTP 1.68539
8 5MQW ATP 1.68539
9 1HSL HIS 1.68539
10 1U6R IOM 2.24719
11 4RHY 3QG 2.80899
12 3AKI AH8 2.80899
13 3TII ANP 2.80899
14 1DQN IMU 2.80899
15 3NZ1 3NY 2.80899
16 3AI3 SOL 2.80899
17 3K5I ADP 2.80899
18 4IEE AGS 3.37079
19 1VRP IOM 3.37079
20 5Y5Q DUT 3.44828
21 5C8W PCG 3.4965
22 4MUV PCG 3.52113
23 1YFZ IMP 3.93258
24 5OJY CIT 3.93258
25 5FS0 5JC 3.93258
26 3MB5 SAM 3.93258
27 3LN9 FLC 4.31655
28 3E3U NVC 4.49438
29 3SJK LYS PRO VAL LEU ARG THR ALA 4.49438
30 5KBE IPH 4.49438
31 1TZD ADP 4.49438
32 3VOT ADP 5.05618
33 1XXA ARG 5.12821
34 6APV 3L4 5.61798
35 5TCI MLI 5.61798
36 3W6X HZP 5.61798
37 4EAX S12 5.83333
38 1XTT U5P 6.17978
39 2JKY 5GP 6.74157
40 1VG1 GDP 6.74157
41 1XX6 ADP 6.74157
42 1JG3 ADN 6.74157
43 4GQY AMP 7.27273
44 1S9D AFB 7.30337
45 4EIL CB3 7.30337
46 5GVR LMR 7.86517
47 3W8X FAD 7.86517
48 3W8X FTK 7.86517
49 4NAE 1GP 7.86517
50 1JG0 UMP 7.86517
51 2A9W UMP 7.86517
52 6FLZ MMA 8.33333
53 2WE0 UMP 8.42697
54 3QH2 3NM 8.42697
55 5JCZ GDP 8.42697
56 4CCK OGA 8.42697
57 3RS8 ALA TRP LEU PHE GLU ALA 8.98876
58 3BP1 GUN 8.98876
59 5VLQ ANP 10.6742
60 1WD4 AHR 10.6742
61 1FFU FAD 11.0429
62 3MBI HSX 11.236
63 3GD8 GOL 11.236
64 5GZZ GSH 11.236
65 4PPF FLC 12.3596
66 5L2R MLA 12.3596
67 5XHA FRU 12.3596
68 1PZM 5GP 12.9213
69 1O5O U5P 12.9213
70 4XFR CIT 12.9213
71 2JBH 5GP 13.4831
72 4JGP PYR 14.0449
73 1P19 IMP 14.6067
74 6AR9 3L4 14.6067
75 1LH0 PRP 14.6067
76 1LH0 ORO 14.6067
77 1HGX 5GP 16.2921
78 3OZG SSI 16.8539
79 5E5U MLI 17.9775
80 4GYS MLI 17.9775
81 1QK3 5GP 19.1011
82 2YRX AMP 19.1011
83 6CAM BGC 19.1011
84 3ACC 5GP 20.7865
85 5T48 MGP 23.0337
86 4UEC MGT 23.0337
87 1BZY IMU 24.7191
88 4JLS 3ZE 25.6579
89 4P86 5GP 28.6517
90 4P83 U5P 29.2135
91 1P4A PCP 29.2135
92 2FXV 5GP 29.2135
Pocket No.: 2; Query (leader) PDB : 6FCH; Ligand: PRP; Similar sites found with APoc: 23
This union binding pocket(no: 2) in the query (biounit: 6fch.bio1) has 48 residues
No: Leader PDB Ligand Sequence Similarity
1 1P1C SAH None
2 5H4S RAM 1.1236
3 1HFU NAG NDG 2.80899
4 1EJ4 M7G 2.80899
5 1EJH M7G 2.80899
6 4UYW H1S 3.37079
7 4JZ8 CIT 3.37079
8 3TKY N7I 3.93258
9 5NM7 GLY 5.05618
10 5UBG PRT 5.05618
11 2PWY SAH 5.05618
12 4AVB CMP 5.05618
13 3B6R CRN 5.61798
14 5KK4 44E 6.25
15 1NU4 MLA 7.2165
16 2NZ5 226 8.42697
17 2Q8E OGA 8.42697
18 2YBP 2HG 8.42697
19 2X2T GAL NGA 8.49673
20 5BXV MGP 11.3636
21 3HRD FAD 11.7978
22 1QHO MAL 14.0449
23 3KO0 TFP 17.8218
APoc FAQ
Feedback