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
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
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1ZN8 - AMP C10 H14 N5 O7 P c1nc(c2c(n....
2 1ZN7 - HSX C5 H11 O8 P C([C@@H]1[....
3 1ORE - AMP C10 H14 N5 O7 P c1nc(c2c(n....
4 1ZN9 - AMP C10 H14 N5 O7 P c1nc(c2c(n....
70% 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 1ZN8 - AMP C10 H14 N5 O7 P c1nc(c2c(n....
2 1ZN7 - HSX C5 H11 O8 P C([C@@H]1[....
3 1ORE - AMP C10 H14 N5 O7 P c1nc(c2c(n....
4 1ZN9 - AMP C10 H14 N5 O7 P c1nc(c2c(n....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1ZN8 - AMP C10 H14 N5 O7 P c1nc(c2c(n....
2 1ZN7 - HSX C5 H11 O8 P C([C@@H]1[....
3 1ORE - AMP C10 H14 N5 O7 P c1nc(c2c(n....
4 1ZN9 - AMP C10 H14 N5 O7 P c1nc(c2c(n....
5 1L1Q - 9DA C6 H6 N4 c1c[nH]c2c....
6 1L1R - PRP C5 H13 O14 P3 C([C@@H]1[....
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: 41
No: Ligand ECFP6 Tc MDL keys Tc
1 RP5 1 1
2 HSX 1 1
3 ABF 1 1
4 BGP 0.8 0.902439
5 M6D 0.8 0.902439
6 BG6 0.8 0.902439
7 A6P 0.8 0.902439
8 G6P 0.8 0.902439
9 M6P 0.8 0.902439
10 AHG 0.676471 0.880952
11 4R1 0.634146 0.755102
12 GLP 0.634146 0.755102
13 50A 0.615385 0.883721
14 RF5 0.615385 0.883721
15 GRF 0.589744 0.76
16 NNG 0.565217 0.685185
17 4QY 0.553191 0.685185
18 16G 0.553191 0.685185
19 BMX 0.553191 0.685185
20 FDQ 0.547619 0.860465
21 D6G 0.5 0.860465
22 G16 0.5 0.860465
23 PRP 0.5 0.975
24 1FT 0.490909 0.770833
25 N 0.47619 0.860465
26 PPC 0.469388 0.906977
27 T6P 0.469388 0.822222
28 32O 0.441176 0.675
29 RIB 0.441176 0.675
30 Z6J 0.441176 0.675
31 FUB 0.441176 0.675
32 AHR 0.441176 0.675
33 P3M 0.440678 0.822222
34 IRN 0.425926 0.606557
35 FGR 0.410714 0.655172
36 AHR AHR 0.404255 0.690476
37 TA6 0.404255 0.906977
38 F6P 0.404255 0.906977
39 FUB AHR 0.404255 0.690476
40 BNX 0.4 0.880952
41 ALX 0.4 0.880952
Ligand no: 3; Ligand: PRP; Similar ligands found: 22
No: Ligand ECFP6 Tc MDL keys Tc
1 PRP 1 1
2 PPC 0.615385 0.930233
3 G16 0.588235 0.883721
4 M6P 0.5 0.880952
5 HSX 0.5 0.975
6 M6D 0.5 0.880952
7 T6P 0.5 0.804348
8 BGP 0.5 0.880952
9 G6P 0.5 0.880952
10 AHG 0.5 0.904762
11 RP5 0.5 0.975
12 ABF 0.5 0.975
13 A6P 0.5 0.880952
14 BG6 0.5 0.880952
15 GRF 0.45098 0.745098
16 P3M 0.426471 0.804348
17 FDQ 0.425926 0.883721
18 RF5 0.415094 0.863636
19 50A 0.415094 0.863636
20 R1P 0.411765 0.951219
21 GLP 0.410714 0.74
22 4R1 0.410714 0.74
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1ZN7; Ligand: PRP; Similar sites found: 65
This union binding pocket(no: 1) in the query (biounit: 1zn7.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2RDK MAN MAN 0.007065 0.42859 None
2 2PS1 ORO 0.00000008535 0.66685 1.66667
3 2PS1 PRP 0.0000002134 0.58117 1.66667
4 1UPF URF 0.000001829 0.51847 1.66667
5 3ICR FAD 0.01907 0.40364 2.55102
6 1DQN IMU 0.00001864 0.55124 2.77778
7 4RHY 3QG 0.00001002 0.51145 2.77778
8 4CCO OGA 0.01829 0.4075 2.77778
9 1D6S MET PLP 0.007175 0.40667 2.77778
10 1D6S PLP MET 0.006597 0.40663 2.77778
11 5KVA SAM 0.004168 0.41537 3.33333
12 1YFZ IMP 0.001281 0.46925 3.88889
13 5FS0 5JC 0.0145 0.40821 3.88889
14 3ZEI AWH 0.01027 0.40694 4.19355
15 3LN9 FLC 0.0007695 0.49743 4.31655
16 3SJK LYS PRO VAL LEU ARG THR ALA 0.009545 0.42577 4.44444
17 3HVJ 705 0.01699 0.40599 4.44444
18 2PWY SAH 0.003216 0.42202 5
19 5JSQ 6MS 0.00001986 0.53487 5.55556
20 3W6X HZP 0.02241 0.40223 5.55556
21 1XMV ADP 0.01398 0.4009 5.55556
22 4EAX S12 0.01559 0.42822 5.83333
23 1XTT U5P 0.00002132 0.52015 6.11111
24 1ECC PCP 0.000008287 0.48749 6.11111
25 2JKY 5GP 0.000002092 0.57287 6.66667
26 4P8K 38C 0.01734 0.41595 6.66667
27 1S20 TLA 0.01919 0.41944 7.22222
28 1S9D AFB 0.008594 0.41506 7.22222
29 3VC3 C6P 0.006323 0.41219 7.22222
30 5G5G FAD 0.0183 0.40826 7.22222
31 4BXF AKG 0.02459 0.40237 7.22222
32 3W8X FAD 0.001789 0.45878 7.77778
33 4NAE 1GP 0.02014 0.41086 7.77778
34 2A9W UMP 0.0211 0.40594 7.77778
35 4ME6 ADP 0.01192 0.41957 8.33333
36 2WE0 UMP 0.008258 0.41589 8.33333
37 3QH2 3NM 0.02536 0.40022 8.33333
38 2X2T GAL NGA 0.04101 0.40017 8.49673
39 3BP1 GUN 0.006962 0.42778 8.88889
40 2YVF NAD 0.03726 0.40637 10
41 2YVF FAD 0.03624 0.40637 10
42 5KGS 6SR 0.02954 0.40008 10
43 3MBI HSX 0.0000003105 0.63914 11.1111
44 3HRD FAD 0.009606 0.42147 11.6667
45 4PPF FLC 0.01743 0.42256 12.2222
46 1PZM 5GP 0.00000009737 0.66403 12.7778
47 1O5O U5P 0.00001093 0.48452 12.7778
48 2JBH 5GP 0.0000001314 0.65758 13.3333
49 1P18 7HP 0.00000187 0.51389 14.4444
50 1P18 PRP 0.00000187 0.51389 14.4444
51 1LH0 ORO 0.0001594 0.48096 14.4444
52 1LH0 PRP 0.00002695 0.41886 14.4444
53 1HGX 5GP 0.0000002082 0.64772 16.1111
54 3OZG SSI 0.000001253 0.54149 16.6667
55 5E5U MLI 0.00459 0.41996 17.7778
56 4OYA 1VE 0.02656 0.41368 17.7778
57 3KO0 TFP 0.03562 0.40123 17.8218
58 1QK3 5GP 0.000006616 0.48057 18.8889
59 2YRX AMP 0.009504 0.42379 18.8889
60 3ACC 5GP 0.0000001265 0.53714 20.5556
61 5W8V 9YP 0.000006843 0.5394 25
62 4JLS 3ZE 0.0000007807 0.63606 25.6579
63 4P83 U5P 0.000000176 0.64102 28.8889
64 1P4A PCP 0.000001382 0.56615 28.8889
65 2FXV 5GP 0.000001627 0.51603 28.8889
Pocket No.: 2; Query (leader) PDB : 1ZN7; Ligand: ADE; Similar sites found: 84
This union binding pocket(no: 2) in the query (biounit: 1zn7.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4C0R GDS 0.02046 0.4033 None
2 2PS1 ORO 0.00000003488 0.66685 1.66667
3 2PS1 PRP 0.0000003399 0.52622 1.66667
4 1UPF URF 0.000001852 0.47046 1.66667
5 1RE0 AFB 0.009463 0.40472 1.82927
6 1DQN IMU 0.00001038 0.54848 2.77778
7 4RHY 3QG 0.000001653 0.49543 2.77778
8 1D6S PLP MET 0.0008241 0.47026 2.77778
9 1D6S MET PLP 0.0009298 0.46953 2.77778
10 3TII ANP 0.003699 0.42141 2.77778
11 4UAL 3FV 0.008735 0.41278 2.77778
12 4CCO OGA 0.0152 0.40124 2.77778
13 5KVA SAM 0.0009705 0.46678 3.33333
14 2V3A FAD 0.04821 0.40035 3.33333
15 2UUU PL3 0.04194 0.41447 3.88889
16 1YFZ IMP 0.0139 0.40504 3.88889
17 5FS0 5JC 0.011 0.40358 3.88889
18 3ZEI AWH 0.001691 0.46472 4.19355
19 3LN9 FLC 0.0004781 0.49743 4.31655
20 3HVJ 705 0.004094 0.45519 4.44444
21 3SJK LYS PRO VAL LEU ARG THR ALA 0.005965 0.42577 4.44444
22 5UIU 8CG 0.02098 0.40957 4.44444
23 1TZD ADP 0.009076 0.40947 4.44444
24 5UQW GDP 0.02379 0.40005 4.44444
25 2PWY SAH 0.0004994 0.48281 5
26 5THY SAH 0.004619 0.43183 5
27 3MJY FMN 0.01709 0.41769 5
28 3MJY IJZ 0.01709 0.41769 5
29 5JSQ 6MS 0.000007032 0.53324 5.55556
30 1DL5 SAH 0.008232 0.42738 5.55556
31 5X20 NAD 0.008876 0.4243 5.55556
32 1XTT U5P 0.000002912 0.51807 6.11111
33 1ECC PCP 0.00001455 0.44018 6.11111
34 3GRU AMP 0.004346 0.43656 6.11111
35 5CUQ NSC 0.02509 0.40914 6.11111
36 2JKY 5GP 0.0000004167 0.57159 6.66667
37 4P8K 38C 0.02621 0.42344 6.66667
38 3VC3 C6P 0.001027 0.47086 7.22222
39 5G5G FAD 0.005454 0.45283 7.22222
40 1S9D AFB 0.005058 0.41506 7.22222
41 3W8X FAD 0.0003425 0.51888 7.77778
42 4NAE 1GP 0.01369 0.40966 7.77778
43 2A9W UMP 0.0152 0.40319 7.77778
44 2WE0 UMP 0.004854 0.41589 8.33333
45 3QH2 3NM 0.01429 0.40257 8.33333
46 3Q9T FAY 0.0448 0.40204 8.33333
47 2X2T GAL NGA 0.02805 0.40017 8.49673
48 1WG8 SAM 0.005597 0.43274 8.88889
49 3BP1 GUN 0.004512 0.42778 8.88889
50 4WZH FMN 0.01897 0.40783 8.88889
51 1I1N SAH 0.01408 0.41704 10.5556
52 5VLQ ANP 0.0001667 0.4021 10.5556
53 3MBI HSX 0.0000002142 0.62913 11.1111
54 5ECP JAA 0.03782 0.40772 11.1111
55 5ECP ATP 0.04126 0.40741 11.1111
56 5ECP MET 0.03833 0.40741 11.1111
57 3HRD FAD 0.002639 0.4693 11.6667
58 4UCI SAM 0.006229 0.42369 11.6667
59 4PPF FLC 0.01143 0.42256 12.2222
60 1EBG PAH 0.01027 0.41131 12.2222
61 1PZM 5GP 0.00000004682 0.66074 12.7778
62 1O5O U5P 0.000003447 0.56628 12.7778
63 5E72 SAM 0.006502 0.42629 12.7778
64 2JBH 5GP 0.00000005825 0.65619 13.3333
65 1T57 FMN 0.01473 0.40882 13.3333
66 1P18 PRP 0.0000005712 0.48971 14.4444
67 1P18 7HP 0.0000005712 0.48971 14.4444
68 1LH0 ORO 0.0001202 0.46205 14.4444
69 1HGX 5GP 0.00000009343 0.64638 16.1111
70 3OZG SSI 0.0000001445 0.63843 16.6667
71 4OYA 1VE 0.01863 0.43827 17.7778
72 5E5U MLI 0.003043 0.41996 17.7778
73 3KO0 TFP 0.02359 0.40123 17.8218
74 1QK3 5GP 0.0000005356 0.47316 18.8889
75 2YRX AMP 0.007072 0.41976 18.8889
76 3GDN FAD 0.04964 0.40311 18.8889
77 4FZV SAM 0.0171 0.40402 19.4444
78 3ACC 5GP 0.00000005666 0.6307 20.5556
79 1FIQ FAD 0.01784 0.41895 22.7778
80 5W8V 9YP 0.000001277 0.61031 25
81 4JLS 3ZE 0.0000003588 0.63606 25.6579
82 4P83 U5P 0.00000009205 0.63603 28.8889
83 1P4A PCP 0.000003432 0.50728 28.8889
84 2FXV 5GP 0.000002344 0.46582 28.8889
Pocket No.: 3; Query (leader) PDB : 1ZN7; Ligand: HSX; Similar sites found: 104
This union binding pocket(no: 3) in the query (biounit: 1zn7.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1XCL SAH 0.000853 0.48397 None
2 3C3Y SAH 0.002319 0.44452 None
3 1P1C SAH 0.004487 0.43588 None
4 4C0R GDS 0.02046 0.4033 None
5 3CZ7 ACO 0.01145 0.41878 1.11111
6 2PT9 2MH 0.03624 0.40302 1.11111
7 2PS1 ORO 0.00000003488 0.66685 1.66667
8 2PS1 PRP 0.0000003399 0.52622 1.66667
9 1UPF URF 0.000001852 0.47046 1.66667
10 3V4S ATP 0.01604 0.40538 1.66667
11 3V4S ADP 0.03825 0.4018 1.66667
12 1RE0 AFB 0.009463 0.40472 1.82927
13 1R18 SAH 0.01239 0.41253 2.22222
14 1DQN IMU 0.00001038 0.53006 2.77778
15 4RHY 3QG 0.000001653 0.49543 2.77778
16 1D6S PLP MET 0.0008241 0.47026 2.77778
17 1D6S MET PLP 0.0009298 0.46953 2.77778
18 3TII ANP 0.003699 0.42141 2.77778
19 5KVA SAM 0.0009705 0.46678 3.33333
20 1V7C HEY 0.009263 0.42619 3.33333
21 2V3A FAD 0.04821 0.40035 3.33333
22 1I9G SAM 0.00351 0.43765 3.88889
23 3LXK MI1 0.01411 0.41565 3.88889
24 2UUU FAD 0.04194 0.41447 3.88889
25 2UUU PL3 0.04194 0.41447 3.88889
26 5FS0 5JC 0.011 0.40358 3.88889
27 3HVJ 705 0.004094 0.45519 4.44444
28 3S1S SAH 0.003799 0.43944 4.44444
29 3SJK LYS PRO VAL LEU ARG THR ALA 0.005965 0.42577 4.44444
30 1F0X FAD 0.02154 0.41876 4.44444
31 2B4G FMN 0.01508 0.41421 4.44444
32 5UIU 8CG 0.02098 0.40957 4.44444
33 1TZD ADP 0.009076 0.40947 4.44444
34 5UQW GDP 0.02379 0.40005 4.44444
35 2PWY SAH 0.01795 0.43227 5
36 5THY SAH 0.004619 0.43183 5
37 3MJY FMN 0.01709 0.41769 5
38 3MJY IJZ 0.01709 0.41769 5
39 4D9C PMP 0.02328 0.40197 5
40 5JSQ 6MS 0.000007032 0.53324 5.55556
41 1DL5 SAH 0.008232 0.42738 5.55556
42 5X20 NAD 0.008876 0.4243 5.55556
43 3MQG ACO 0.02341 0.42049 5.55556
44 1XTT U5P 0.000002912 0.57635 6.11111
45 1ECC PCP 0.003169 0.47249 6.11111
46 3GRU AMP 0.004346 0.43656 6.11111
47 5CUQ NSC 0.02509 0.40914 6.11111
48 2JKY 5GP 0.0000004167 0.57159 6.66667
49 1JG3 ADN 0.0005248 0.49025 6.66667
50 4EMI FAD 0.01475 0.42735 6.66667
51 4P8K FAD 0.02621 0.42344 6.66667
52 4P8K 38C 0.02621 0.42344 6.66667
53 3VC3 C6P 0.001027 0.47086 7.22222
54 4POO SAM 0.001049 0.46872 7.22222
55 5G5G FAD 0.005454 0.45283 7.22222
56 3SSO SAH 0.0059 0.45007 7.22222
57 1S9D AFB 0.005058 0.41506 7.22222
58 2Q3O FMN 0.01518 0.41123 7.22222
59 3LOO B4P 0.033 0.40615 7.22222
60 3W8X FAD 0.0003425 0.51888 7.77778
61 2WE0 UMP 0.004854 0.41589 8.33333
62 3QH2 3NM 0.01429 0.40257 8.33333
63 2GQT FAD 0.007057 0.45553 8.88889
64 1WG8 SAM 0.005597 0.43274 8.88889
65 4WZH FMN 0.01897 0.40783 8.88889
66 3KPB SAM 0.015 0.42173 9.01639
67 1T3Q FAD 0.002687 0.46465 10
68 1N62 FAD 0.002563 0.46681 10.5556
69 1I1N SAH 0.01408 0.41704 10.5556
70 5VLQ ANP 0.0001667 0.4021 10.5556
71 3DR4 G4M 0.04655 0.40116 10.5556
72 3MBI HSX 0.0000002142 0.60215 11.1111
73 5ECP JAA 0.03782 0.40772 11.1111
74 5ECP ATP 0.04126 0.40741 11.1111
75 5ECP MET 0.03833 0.40741 11.1111
76 3HRD FAD 0.002639 0.4693 11.6667
77 4UCI SAM 0.006229 0.42369 11.6667
78 4PPF FLC 0.01143 0.42256 12.2222
79 1EBG PAH 0.01027 0.41131 12.2222
80 1PZM 5GP 0.00000004682 0.66074 12.7778
81 1O5O U5P 0.000003447 0.56628 12.7778
82 5E72 SAM 0.006502 0.42629 12.7778
83 1RM6 FAD 0.003884 0.45954 13.6646
84 1HSK FAD 0.03059 0.40786 13.8889
85 1G8K MGD 0.02801 0.43205 14.2857
86 1LH0 PRP 0.0000503 0.5464 14.4444
87 1LH0 ORO 0.0001202 0.49945 14.4444
88 1P18 PRP 0.0000005712 0.48971 14.4444
89 1P18 7HP 0.0000005712 0.48971 14.4444
90 2YVJ FAD 0.04184 0.40269 14.6789
91 1HGX 5GP 0.00000009343 0.64638 16.1111
92 3OZG SSI 0.01639 0.42398 16.6667
93 4OYA 1VE 0.01863 0.43827 17.7778
94 5E5U MLI 0.003043 0.41996 17.7778
95 1QK3 5GP 0.0000005356 0.63136 18.8889
96 2YRX AMP 0.007072 0.41976 18.8889
97 3GDN FAD 0.04964 0.40311 18.8889
98 4FZV SAM 0.0171 0.40402 19.4444
99 3ACC 5GP 0.003374 0.44963 20.5556
100 5W8V 9YP 0.000001277 0.61031 25
101 4JLS 3ZE 0.0000003588 0.56532 25.6579
102 4P83 U5P 0.00000009205 0.63603 28.8889
103 1P4A PCP 0.000003432 0.50728 28.8889
104 2FXV 5GP 0.000002344 0.46582 28.8889
Pocket No.: 4; Query (leader) PDB : 1ZN7; Ligand: HSX; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 1zn7.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1ZN7; Ligand: ADE; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 1zn7.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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