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Receptor
PDB id Resolution Class Description Source Keywords
3A2Q 1.8 Å EC: 3.5.2.12 STRUCTURE OF 6-AMINOHEXANOATE CYCLIC DIMER HYDROLASE COMPLEX SUBSTRATE ARTHROBACTER SP. ALPHA/BETA FOLD HYDROLASE NYLON DEGRADATION
Ref.: X-RAY CRYSTALLOGRAPHIC ANALYSIS OF THE 6-AMINOHEXAN CYCLIC DIMER HYDROLASE: CATALYTIC MECHANISM AND EVO AN ENZYME RESPONSIBLE FOR NYLON-6 BYPRODUCT DEGRADA J.BIOL.CHEM. V. 285 1239 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACA ACA A:601;
Valid;
none;
submit data
226.32 n/a O=C1N...
GOL A:603;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3A2Q 1.8 Å EC: 3.5.2.12 STRUCTURE OF 6-AMINOHEXANOATE CYCLIC DIMER HYDROLASE COMPLEX SUBSTRATE ARTHROBACTER SP. ALPHA/BETA FOLD HYDROLASE NYLON DEGRADATION
Ref.: X-RAY CRYSTALLOGRAPHIC ANALYSIS OF THE 6-AMINOHEXAN CYCLIC DIMER HYDROLASE: CATALYTIC MECHANISM AND EVO AN ENZYME RESPONSIBLE FOR NYLON-6 BYPRODUCT DEGRADA J.BIOL.CHEM. V. 285 1239 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3A2Q - ACA ACA n/a n/a
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 3A2Q - ACA ACA n/a n/a
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 3A2Q - ACA ACA n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ACA ACA; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 ACA ACA 1 1
2 ICC 1 0.757576
3 BAQ 0.6 0.735294
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3A2Q; Ligand: ACA ACA; Similar sites found with APoc: 82
This union binding pocket(no: 1) in the query (biounit: 3a2q.bio2) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 1LOJ URI 0.608519
2 1LOJ U 0.608519
3 1WD4 AHR 1.24481
4 2AWN ADP 1.31234
5 2GSD NAD 1.49254
6 4GID 0GH 1.54639
7 1CT9 GLN 1.62272
8 5Z20 NAI 1.73913
9 4EMI FAD 1.95122
10 4EMI NAD 1.95122
11 5A1S FLC 2.00893
12 4D4U FUC 2.0284
13 4EZD SEY 2.08333
14 2GMH FAD 2.43408
15 4MIB 28M 2.43408
16 2PT9 S4M 2.49221
17 2PT9 2MH 2.49221
18 4K91 SIN 2.60116
19 1IY8 NAD 2.62172
20 3NZ1 3NY 2.68199
21 5YBL AKG 2.86624
22 3O2K QRP 2.95359
23 5ARK UMP 2.98507
24 4B7X NAP 3.0426
25 3QH2 3NM 3.16742
26 5U3B 7TD 3.34448
27 3UZO GLU 3.35196
28 4AVV CD 3.43137
29 2JK0 ASP 3.44828
30 2V9M CIT 3.64964
31 4P6G 2FZ 3.9823
32 2WGV CIT 4.03226
33 3ZZH NLG 4.23453
34 1OYJ GSH 4.25963
35 1NVM NAD 4.25963
36 4DD8 BAT 4.32692
37 4D52 GIV 4.44444
38 4D52 GXL 4.44444
39 3GD4 FAD 4.46247
40 3GD4 NAD 4.46247
41 5X8G S0N 4.53608
42 1LSH PLD 4.70219
43 3KIF GDL 4.71698
44 4K7O EKZ 4.7619
45 5LJW ANP 4.89914
46 2VHL GLP 5.05051
47 6G47 SIA 5.26316
48 5DN9 NAD 5.27383
49 4A34 FUL 5.44218
50 2WSB NAD 5.51181
51 1M5B BN1 5.70342
52 1OFZ FUL 5.76923
53 3WCZ CIT 5.84416
54 2NAD NAD 5.88235
55 6G1P CIT 6.28571
56 1PVN MZP 6.38298
57 4GLL NAD 6.52819
58 3A28 NAD 6.69371
59 1GJW GLC 7.09939
60 1WHT BZS 7.84314
61 6F5W KG1 8.11359
62 3QPB URA 8.51064
63 5NIU 8YZ 8.59375
64 1GXU 2HP 8.79121
65 2J9C ATP 9.2437
66 2ZXI FAD 9.33063
67 5Z21 NAI 9.49721
68 5DQY BEZ 9.52381
69 3LZW NAP 9.63855
70 3AFN NAP 10.4651
71 5VKI THR NGA GAL NAG 11.875
72 1JQ3 AAT 13.1757
73 4WOH 4NP 13.253
74 4ISS TAR 14.4016
75 3PPM JG1 17.4442
76 3A1I UNU 19.4726
77 1O9P MLA 21.9807
78 1ONI BEZ 23.913
79 5H6S HDH 25.5717
80 4CP8 MLI 34.4828
81 4GYS MLI 37.3225
82 4YJI TYL 46.856
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