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Receptor
PDB id Resolution Class Description Source Keywords
3TTN 2 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURES OF POLYAMINE RECEPTORS SPUD AND SPUE FROM PSEUDOMONAS AERUGINOSA PSEUDOMONAS AERUGINOSA POLYAMINE BINDING PROTEIN SPERMIDINE TRANSPORT PROTEIN
Ref.: STRUCTURAL BASIS OF SUBSTRATE BINDING SPECIFICITY R BY THE CRYSTAL STRUCTURES OF POLYAMINE RECEPTORS SP SPUE FROM PSEUDOMONAS AERUGINOSA J.MOL.BIOL. V. 416 697 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SPD A:363;
B:363;
Valid;
Valid;
none;
none;
Kd = 14.3 nM
145.246 C7 H19 N3 C(CCN...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3TTN 2 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURES OF POLYAMINE RECEPTORS SPUD AND SPUE FROM PSEUDOMONAS AERUGINOSA PSEUDOMONAS AERUGINOSA POLYAMINE BINDING PROTEIN SPERMIDINE TRANSPORT PROTEIN
Ref.: STRUCTURAL BASIS OF SUBSTRATE BINDING SPECIFICITY R BY THE CRYSTAL STRUCTURES OF POLYAMINE RECEPTORS SP SPUE FROM PSEUDOMONAS AERUGINOSA J.MOL.BIOL. V. 416 697 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 3TTN Kd = 14.3 nM SPD C7 H19 N3 C(CCNCCCN)....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 175 families.
1 1A99 Kd = 2 uM PUT C4 H12 N2 C(CCN)CN
2 4JDF Kd = 6.4 mM SPD C7 H19 N3 C(CCNCCCN)....
3 3TTN Kd = 14.3 nM SPD C7 H19 N3 C(CCNCCCN)....
4 3TTM Kd = 3 nM PUT C4 H12 N2 C(CCN)CN
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 149 families.
1 1A99 Kd = 2 uM PUT C4 H12 N2 C(CCN)CN
2 4JDF Kd = 6.4 mM SPD C7 H19 N3 C(CCNCCCN)....
3 3TTN Kd = 14.3 nM SPD C7 H19 N3 C(CCNCCCN)....
4 3TTM Kd = 3 nM PUT C4 H12 N2 C(CCN)CN
5 1POT Kd = 3.2 uM SPD C7 H19 N3 C(CCNCCCN)....
6 1POY Kd = 3.2 uM SPD C7 H19 N3 C(CCNCCCN)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SPD; Similar ligands found: 9
No: Ligand ECFP6 Tc MDL keys Tc
1 SPD 1 1
2 TER 0.869565 1
3 37Z 0.85 0.913043
4 SPM 0.809524 1
5 NSD 0.75 0.913043
6 SS9 0.607143 0.958333
7 Q9C 0.545455 0.71875
8 SP5 0.514286 0.71875
9 FKS 0.5 0.638889
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3TTN; Ligand: SPD; Similar sites found with APoc: 82
This union binding pocket(no: 1) in the query (biounit: 3ttn.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 4RSL FAD 1.17647
2 1KJ8 ATP 1.17647
3 2DBZ NAP 1.79641
4 3AKK ADP 1.84615
5 3OIG IMJ 1.8797
6 2B9F ADP 2.05882
7 2B9J ADP 2.05882
8 4M52 M52 2.05882
9 2B9I ADP 2.05882
10 4UAL 3FV 2.05882
11 1MXH NAP 2.17391
12 1MXH DHF 2.17391
13 1GA8 DEL 2.2508
14 1GA8 UPF 2.2508
15 5VCV 1N1 2.2508
16 5X8I SQZ 2.35294
17 6G33 5ID 2.35988
18 5FB3 NDP 2.36686
19 3TXO 07U 2.94118
20 3R7F CP 2.96053
21 4ZA2 NAD 3.16206
22 5T9F TYR 3.32103
23 3RE4 TO1 3.48837
24 1Z6Z NAP 3.5461
25 4GE6 B26 3.82166
26 1DRV A3D 4.0293
27 2C6Q NDP 4.11765
28 3IQE F42 4.24028
29 6CMJ F6J 4.36137
30 1Z45 NAD 4.41176
31 1O7Q UDP 4.49827
32 1O7Q GAL NAG 4.49827
33 3OJF IMJ 4.66926
34 3JQ9 NAP 4.86111
35 3JQA NAP 4.86111
36 4CMI NAP 4.86111
37 3JQF NAP 4.86111
38 4CM8 NAP 4.86111
39 3JQ8 NAP 4.86111
40 5K6A NAP 4.86111
41 3JQ7 NAP 4.86111
42 3JQG NAP 4.86111
43 3BMQ NAP 4.86111
44 4CM4 NAP 4.86111
45 3BMN NAP 4.86111
46 3BMO NAP 4.86111
47 5JDI NAP 4.86111
48 4CM9 NAP 4.86111
49 4CME NAP 4.86111
50 5JDC NAP 4.86111
51 3JQB NAP 4.86111
52 4CLR NAP 4.86111
53 5JCJ NAP 4.86111
54 4GLL NAD 5.04451
55 2WD7 NAP 5.22388
56 4NST ADP 5.29412
57 4GJ3 0XP 5.29801
58 3Q9T FAY 5.58824
59 1GY8 NAD 5.88235
60 5UIU 8CG 6.19195
61 6BII NAP 6.60661
62 5HQ0 LZ9 7.14286
63 1UU1 PMP HSA 7.16418
64 4E5N NAD 7.27273
65 4IGQ OGA 7.35294
66 1QFT HSM 7.42857
67 5AOV NAP 7.44048
68 6F9Q NAD 7.72059
69 4ZGS NAD 7.94118
70 4X7Q 3YR 8.01282
71 1U7T NAD 8.42912
72 4JR7 GNP 9.35829
73 1VJY 460 10.5611
74 2PVN P63 10.7955
75 2C1Q BTN 11.1111
76 1V0O INR 11.1111
77 5HSA FAS 11.4706
78 2JFZ 003 13.7255
79 2JFZ DGL 13.7255
80 1EU8 TRE 13.8235
81 6HLY G9Z 34.7059
82 2B9H ADP 42.8571
Pocket No.: 2; Query (leader) PDB : 3TTN; Ligand: SPD; Similar sites found with APoc: 16
This union binding pocket(no: 2) in the query (biounit: 3ttn.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 1KJ8 GAR 1.17647
2 3QVP FAD 1.47059
3 1XJD STU 1.76471
4 3KRU FMN 1.76471
5 5VGR GDP 2.64706
6 4BUZ OCZ 2.84553
7 4BUZ OAD 2.84553
8 1XIM XYL 3.23529
9 3SRV S19 3.2491
10 5T9F NAP 3.32103
11 5GT9 NAP 3.42205
12 2I3G NAP 3.82353
13 2YIC TPP 4.41176
14 4ZSY RW2 5.88235
15 2OFV 242 6.13718
16 3UG4 AHR 10.3175
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