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 199 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 166 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 141 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: 8
No: Ligand ECFP6 Tc MDL keys Tc
1 SPD 1 1
2 37Z 0.85 0.913043
3 SPM 0.809524 1
4 NSD 0.75 0.913043
5 SS9 0.607143 0.958333
6 Q9C 0.545455 0.71875
7 SP5 0.514286 0.71875
8 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: 26
This union binding pocket(no: 1) in the query (biounit: 3ttn.bio2) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4RSL FAD 0.04528 0.40766 1.17647
2 5LXC 7AA 0.01377 0.41013 1.76471
3 2DBZ NAP 0.0196 0.4208 1.79641
4 4UAL 3FV 0.02219 0.40307 2.05882
5 1MXH NAP 0.03359 0.41701 2.17391
6 4ZA2 NAD 0.03512 0.40742 3.16206
7 2BGM NAJ 0.04116 0.40082 3.23741
8 5T9F TYR 0.02931 0.41962 3.32103
9 1Z6Z NAP 0.03816 0.40649 3.5461
10 1PN0 FAD 0.03664 0.42123 4.11765
11 1PN0 IPH 0.03773 0.42123 4.11765
12 5IXJ THR 0.0285 0.42108 4.41176
13 4CM9 NAP 0.04434 0.40187 4.86111
14 5JDI NAP 0.04257 0.40166 4.86111
15 4CLR NAP 0.04482 0.40037 4.86111
16 4NST ADP 0.02295 0.40301 5.29412
17 3Q9T FAY 0.03147 0.41903 5.58824
18 5CPR SAM 0.007897 0.4381 5.59701
19 5UIU 8CG 0.04656 0.40129 6.19195
20 5HQ0 LZ9 0.006409 0.43573 7.14286
21 4ZGS NAD 0.02702 0.40738 7.94118
22 4JR7 GNP 0.02028 0.40492 9.35829
23 1VJY 460 0.02447 0.41841 10.5611
24 2JFZ 003 0.02515 0.43666 13.7255
25 2JFZ DGL 0.0252 0.43661 13.7255
26 2B9H ADP 0.0149 0.41435 42.8571
Pocket No.: 2; Query (leader) PDB : 3TTN; Ligand: SPD; Similar sites found: 3
This union binding pocket(no: 2) in the query (biounit: 3ttn.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3KRU FMN 0.03517 0.41015 1.76471
2 5T9F NAP 0.04178 0.40974 3.32103
3 5GT9 NAP 0.04169 0.40461 3.42205
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