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Receptor
PDB id Resolution Class Description Source Keywords
1WOG 1.8 Å EC: 3.5.3.11 CRYSTAL STRUCTURE OF AGMATINASE REVEALS STRUCTURAL CONSERVATION AND INHIBITION MECHANISM OF THE UREOHYDROLASE S UPERFAMILY DEINOCOCCUS RADIODURANS ALPHA/BETA FOLD HYDROLASE
Ref.: CRYSTAL STRUCTURE OF AGMATINASE REVEALS STRUCTURAL CONSERVATION AND INHIBITION MECHANISM OF THE UREOHYDROLASE SUPERFAMILY J.BIOL.CHEM. V. 279 50505 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
16D A:1401;
B:1402;
C:1403;
D:1404;
E:1405;
F:1406;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
submit data
116.205 C6 H16 N2 C(CCC...
MN A:1601;
A:1602;
B:1603;
B:1604;
C:1605;
C:1606;
D:1607;
D:1608;
E:1609;
E:1610;
F:1611;
F:1612;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
54.938 Mn [Mn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1WOG 1.8 Å EC: 3.5.3.11 CRYSTAL STRUCTURE OF AGMATINASE REVEALS STRUCTURAL CONSERVATION AND INHIBITION MECHANISM OF THE UREOHYDROLASE S UPERFAMILY DEINOCOCCUS RADIODURANS ALPHA/BETA FOLD HYDROLASE
Ref.: CRYSTAL STRUCTURE OF AGMATINASE REVEALS STRUCTURAL CONSERVATION AND INHIBITION MECHANISM OF THE UREOHYDROLASE SUPERFAMILY J.BIOL.CHEM. V. 279 50505 2004
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1WOG - 16D C6 H16 N2 C(CCCN)CCN
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1WOG - 16D C6 H16 N2 C(CCCN)CCN
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1WOG - 16D C6 H16 N2 C(CCCN)CCN
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 16D; Similar ligands found: 8
No: Ligand ECFP6 Tc MDL keys Tc
1 16D 1 1
2 DIA 0.909091 1
3 N2P 0.818182 0.95
4 PUT 0.636364 0.9
5 13D 0.545455 0.727273
6 AML 0.4375 0.6
7 011 0.434783 0.666667
8 8AC 0.416667 0.666667
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1WOG; Ligand: 16D; Similar sites found with APoc: 97
This union binding pocket(no: 1) in the query (biounit: 1wog.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 1W4R TTP 1.53846
2 5U5N NAD 1.79211
3 4ITU 1HS 1.85874
4 2NP9 YE1 1.96721
5 5X8G S0N 1.96721
6 5Z69 AGS 1.96721
7 4LRL TTP 1.96721
8 6B8B ADP 2.00803
9 1P7T ACO 2.29508
10 3NUG NAD 2.42915
11 3MKN DNB 2.62295
12 5M3Z PY6 2.62295
13 6F6J CUW 2.62295
14 1URS MLR 2.62295
15 5L4S 6KX 2.62295
16 5L4S NAP 2.62295
17 2ZBA COA 2.62295
18 4ZLA BES 2.62295
19 2FHK MFN 2.7027
20 4YKI GLY 2.73438
21 1N5D NDP 2.77778
22 4CS4 AXZ 2.91971
23 1AE1 NAP 2.9304
24 1EFV FAD 2.95082
25 1EFV AMP 2.95082
26 1GZ6 NAI 2.95082
27 4ADC PLP 2.95082
28 2ORV 4TA 2.99145
29 1VL8 NAP 2.99625
30 2CFC NAD 3.2
31 1K7T NAG GAL 3.22581
32 5Z2L NDP 3.26531
33 3WCZ NAP 3.27869
34 1ZBQ NAD 3.27869
35 3W9Z FMN 3.27869
36 3QWI NAP 3.33333
37 1NP7 FAD 3.60656
38 5L9O GOP 3.73134
39 1GQ2 NAP 3.93443
40 5B3A 0JO 3.93443
41 5UIJ TYD 3.93443
42 1LAN LEU 3.93443
43 3FSJ D7K 3.93443
44 3CV6 NAP 3.93443
45 5ZZO FLC 3.9801
46 3D36 ADP 4.09836
47 1SG4 CO8 4.23077
48 5JBX COA 4.5977
49 2CVZ NDP 4.84429
50 1WP4 NDP 4.84429
51 4DJA DLZ 4.91803
52 4DJA FAD 4.91803
53 2Y4O DLL 4.91803
54 2BD0 NAP 4.91803
55 4U63 FAD 5.2459
56 5N69 2OW 5.2459
57 5GVL PLG 5.2459
58 5GVL GI8 5.2459
59 3A5Z KAA 5.2459
60 3AY6 NAI 5.57621
61 5YEC ATP 5.88235
62 5EJ2 NAD 5.90164
63 2QQ0 ANP 5.97826
64 2QQ0 THM 5.97826
65 2QQ0 TMP 5.97826
66 2QQ0 ADP 5.97826
67 2VSS ACO 6.15942
68 2VSU ACO 6.18182
69 4XCZ T3Q 6.22951
70 4XCZ FON 6.22951
71 5AZ1 NDP 6.55738
72 4WXJ GLU 7.0632
73 4I4Z 2NE 7.27273
74 2J4D FAD 7.54098
75 1DNP FAD 7.54098
76 1D01 ACE MET LEU SER VAL GLU GLU GLU GLY 7.54098
77 5J60 FAD 7.86885
78 1TB3 FMN 8.19672
79 3VIU ADP 8.19672
80 1Z4O GL1 8.59729
81 4CQM NAP 8.60656
82 4CDN FAD 9.3361
83 4CDN FO1 9.3361
84 3MN7 ATP 10.2041
85 3VYW SAM 10.8197
86 1U1B PAX 11.2903
87 6FOG OXL 14.7321
88 1U3D FAD 14.7541
89 3UMV FAD 16.7213
90 3MMR ABH 26.2295
91 4Q3R XA2 29.8361
92 4Q3S X7A 29.8361
93 4IU0 ABH 33.7705
94 4I06 X8A 38.0328
95 1D3V ABH 39.3443
96 2AEB ABH 39.3443
97 3CEV ARG 40.4682
Pocket No.: 2; Query (leader) PDB : 1WOG; Ligand: 16D; Similar sites found with APoc: 49
This union binding pocket(no: 2) in the query (biounit: 1wog.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 3TYZ XHP 1.42857
2 3TYZ PAB 1.42857
3 6AU6 GDP 1.63934
4 1N2X SAM 1.66113
5 5D63 FUC GLA GLA 1.70648
6 5WQP NCA 1.7094
7 4ITU NAI 1.85874
8 3WXB NDP 1.96721
9 1RRV TYD 1.96721
10 3T7S SAM 2.23881
11 3O26 NDP 2.29508
12 5YSQ INS 2.44755
13 5M3Z NLE 2.62295
14 1IY8 NAD 2.62295
15 6F6J SIN 2.62295
16 2IU8 UD1 2.62295
17 4P5E N6P 2.63158
18 1OAA OAA 2.7027
19 5WS9 AMP 2.95082
20 1XG5 NAP 2.95082
21 1K7V NAG GAL BGC 3.22581
22 3A28 NAD 3.48837
23 3WV8 ATP 3.66972
24 1YQD NAP 3.82514
25 1EQ2 NAP 3.93443
26 1XHL NDP 4.0404
27 3E3U NVC 4.06091
28 2UUU FAD 4.59016
29 2UUU PL3 4.59016
30 6CI9 NAP 4.6332
31 4ONQ SFG 4.91803
32 5VKT NAP 4.91803
33 1SC6 NAD 5.2459
34 3QKD HI0 5.52486
35 3TN7 NJP 5.83658
36 2ZW5 COA 6.64452
37 5JWC FAD 6.88525
38 4I42 1HA 7.36842
39 3ZV6 NAD 7.47331
40 3ZV6 4HB 7.47331
41 1S4M LUM 7.50853
42 1T3Q MCN 7.54098
43 1GEG NAD 7.8125
44 5EIB GTP 8.52459
45 4IYO 0JO 9.18033
46 4IY7 KOU 9.18033
47 4YJ1 ADP 10.8197
48 1XXA ARG 11.5385
49 5TDF 7A3 11.8033
Pocket No.: 3; Query (leader) PDB : 1WOG; Ligand: 16D; Similar sites found with APoc: 11
This union binding pocket(no: 3) in the query (biounit: 1wog.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 5NB7 8NQ 2.17391
2 5NTD BES 2.95082
3 2AQX ATP 4.59016
4 2BZZ AP5 5.92593
5 1DUB CAA 6.13027
6 4UOX PUT 6.20985
7 4UOX PLP PUT 6.20985
8 4QIJ 1HA 6.55738
9 4OAS 2SW 7.29167
10 4MFL MFK 7.86885
11 1RJW ETF 12.1311
Pocket No.: 4; Query (leader) PDB : 1WOG; Ligand: 16D; Similar sites found with APoc: 14
This union binding pocket(no: 4) in the query (biounit: 1wog.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 3FXU TSU 1.96721
2 3LU1 NAD 2.62295
3 4MO4 ACP 3.27869
4 5T2U NAP 4.03226
5 3D3W NAP 4.09836
6 1XKQ NDP 4.28571
7 1A27 NAP 4.84429
8 2EWM NAD 5.62249
9 5ODQ 9SB 5.68562
10 4XO8 KGM 6.22951
11 6C4N NAP 6.55738
12 4YAG NAI 6.57439
13 3NEM AMO 6.84932
14 4URF NAD 9.67742
Pocket No.: 5; Query (leader) PDB : 1WOG; Ligand: 16D; Similar sites found with APoc: 9
This union binding pocket(no: 5) in the query (biounit: 1wog.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 5GMD DP6 1.96721
2 1WMA NDP 2.17391
3 1WMA AB3 2.17391
4 3H8G BES 2.29508
5 1G0N NDP 3.18021
6 4Q0P 0MK 3.46154
7 5Y1G AKB 5.90164
8 1NV8 SAM 6.69014
9 4Z3X MTE 9.5082
Pocket No.: 6; Query (leader) PDB : 1WOG; Ligand: 16D; Similar sites found with APoc: 4
This union binding pocket(no: 6) in the query (biounit: 1wog.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 1X1T NAD 1.92308
2 2X6T NAP 3.93443
3 4TXJ THM 7.09459
4 4IY7 0JO 9.18033
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