Receptor
PDB id Resolution Class Description Source Keywords
1A99 2.2 Å NON-ENZYME: BINDING PUTRESCINE RECEPTOR (POTF) FROM E. COLI ESCHERICHIA COLI BINDING PROTEIN TRANSPORT PERIPLASMIC PUTRESCINE BINDING PROTEIN (POTF)
Ref.: CRYSTAL STRUCTURE AND MUTATIONAL ANALYSIS OF THE ESCHERICHIA COLI PUTRESCINE RECEPTOR. STRUCTURAL BASIS FOR SUBSTRATE SPECIFICITY. J.BIOL.CHEM. V. 273 17604 1998
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PUT A:371;
B:371;
C:371;
D:371;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
Kd = 2 uM
88.151 C4 H12 N2 C(CCN...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1A99 2.2 Å NON-ENZYME: BINDING PUTRESCINE RECEPTOR (POTF) FROM E. COLI ESCHERICHIA COLI BINDING PROTEIN TRANSPORT PERIPLASMIC PUTRESCINE BINDING PROTEIN (POTF)
Ref.: CRYSTAL STRUCTURE AND MUTATIONAL ANALYSIS OF THE ESCHERICHIA COLI PUTRESCINE RECEPTOR. STRUCTURAL BASIS FOR SUBSTRATE SPECIFICITY. J.BIOL.CHEM. V. 273 17604 1998
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 473 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)....
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: PUT; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 PUT 1 1
2 13D 0.666667 0.8
3 16D 0.636364 0.9
4 N2P 0.636364 0.947368
5 DIA 0.583333 0.9
6 AML 0.5 0.652174
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1A99; Ligand: PUT; Similar sites found: 49
This union binding pocket(no: 1) in the query (biounit: 1a99.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2FNU PMP UD1 0.02406 0.42316 1.74419
2 1GDE GLU PLP 0.01432 0.41282 1.74419
3 2DBZ NAP 0.02762 0.41388 1.79641
4 2BGM NAJ 0.01518 0.42242 1.79856
5 1XJD STU 0.01322 0.41375 2.03488
6 1PJS NAD 0.0197 0.40448 2.32558
7 2ZPT A3P 0.04493 0.42483 2.37288
8 3SVL FMN 0.01671 0.40393 2.59067
9 4UAL 3FV 0.01183 0.41835 2.61628
10 1KEW TYD 0.04596 0.4151 2.61628
11 3ORF NAD 0.02639 0.4125 2.78884
12 5IXJ THR 0.009544 0.44371 2.90698
13 2AMV BIN 0.0423 0.42182 2.90698
14 4XQC NAD 0.04414 0.41113 2.90698
15 5X8I SQZ 0.01572 0.41064 2.90698
16 1XE7 GUN 0.006433 0.4172 2.95567
17 4GLL NAD 0.02072 0.42061 2.96736
18 3VP6 HLD 0.0252 0.4028 3.19767
19 5LXC 7AA 0.01409 0.40853 3.48837
20 5D9O BGC BGC BGC BGC 0.04511 0.40561 3.48837
21 3TXO 07U 0.007745 0.42305 3.77907
22 1N1G BCP 0.02847 0.41625 3.77907
23 2FFU UDP 0.01736 0.41312 3.77907
24 1M5B BN1 0.01872 0.46307 3.80228
25 3JQ8 NAP 0.03143 0.40206 3.81944
26 4MO4 ACP 0.0382 0.41313 4.06977
27 2WD7 NAP 0.02915 0.40191 4.10448
28 4TUO SIA GAL SIA GLC NGA 0.01316 0.41355 4.20561
29 1MXH NAP 0.02473 0.41879 4.34783
30 2B9F ADP 0.005823 0.43655 4.36047
31 5V2J 7WV 0.02017 0.42366 4.36047
32 5V2J UDP 0.02017 0.42366 4.36047
33 1DSS NAD 0.02225 0.43545 4.5045
34 1ORR NAD 0.01511 0.42951 4.65116
35 4Q9N 0WE 0.02295 0.40142 4.69799
36 4PFW MAN MAN BMA BMA BMA BMA 0.01992 0.43 4.94186
37 5DJH AMP 0.01419 0.41333 5.20833
38 5HES 032 0.02845 0.40056 5.21173
39 5AJP UDP 0.01854 0.40961 5.23256
40 2H04 4UN 0.01797 0.40035 5.7508
41 1OMO NAD 0.01006 0.43081 7.45342
42 4ZU4 4TG 0.02347 0.40692 8.10811
43 5HQ0 LZ9 0.005232 0.44267 9.52381
44 4ZGS NAD 0.01611 0.42137 9.88372
45 1ZEM NAD 0.0264 0.4077 9.92366
46 3OIG IMJ 0.002911 0.44373 10.5263
47 4JEM C5P 0.0244 0.40394 11.7647
48 1VJY 460 0.01868 0.42381 15.1815
49 4EUO ABU 0.0009829 0.44572 33.125
Pocket No.: 2; Query (leader) PDB : 1A99; Ligand: PUT; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1a99.bio1) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1A99; Ligand: PUT; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1a99.bio2) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1A99; Ligand: PUT; 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: 1a99.bio2) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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