Receptor
PDB id Resolution Class Description Source Keywords
4LED 2.37 Å NON-ENZYME: OTHER THE CRYSTAL STRUCTURE OF PYOCIN L1 BOUND TO D-RHAMNOSE AT 2. ANGSTROMS PSEUDOMONAS AERUGINOSA MONOCOT MANNOSE BINDING PROTEIN GALANTHUS NIVALIS AGGLUTINIPRISM BACTERIOCIN ANTIMICROBIAL PROTEIN EXTRACELLULAR SBINDING PROTEIN
Ref.: LECTIN-LIKE BACTERIOCINS FROM PSEUDOMONAS SPP. UTIL D-RHAMNOSE CONTAINING LIPOPOLYSACCHARIDE AS A CELLU RECEPTOR. PLOS PATHOG. V. 10 03898 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
XXR B:302;
B:301;
A:303;
A:302;
B:304;
B:303;
A:301;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
submit data
164.156 C6 H12 O5 C[C@@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4LED 2.37 Å NON-ENZYME: OTHER THE CRYSTAL STRUCTURE OF PYOCIN L1 BOUND TO D-RHAMNOSE AT 2. ANGSTROMS PSEUDOMONAS AERUGINOSA MONOCOT MANNOSE BINDING PROTEIN GALANTHUS NIVALIS AGGLUTINIPRISM BACTERIOCIN ANTIMICROBIAL PROTEIN EXTRACELLULAR SBINDING PROTEIN
Ref.: LECTIN-LIKE BACTERIOCINS FROM PSEUDOMONAS SPP. UTIL D-RHAMNOSE CONTAINING LIPOPOLYSACCHARIDE AS A CELLU RECEPTOR. PLOS PATHOG. V. 10 03898 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 4LED - XXR C6 H12 O5 C[C@@H]1[C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 4LED - XXR C6 H12 O5 C[C@@H]1[C....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 4LED - XXR C6 H12 O5 C[C@@H]1[C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: XXR; Similar ligands found: 9
No: Ligand ECFP6 Tc MDL keys Tc
1 G6D 1 1
2 XXR 1 1
3 FUL 1 1
4 FUC 1 1
5 RAM 1 1
6 FCA 1 1
7 RM4 1 1
8 FCB 1 1
9 FUF 0.424242 0.846154
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4LED; Ligand: XXR; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 4led.bio1) has 3 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4LED; Ligand: XXR; Similar sites found: 45
This union binding pocket(no: 2) in the query (biounit: 4led.bio1) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1X9Q FLU 0.02322 0.40723 2.61194
2 4UWJ 7L5 0.02529 0.41065 3.35821
3 4UWJ MYA 0.02529 0.41065 3.35821
4 4R38 RBF 0.01046 0.41221 3.57143
5 1WW5 SGA BGC 0.006897 0.4095 3.75
6 1SWG BTN 0.001068 0.47975 4.6875
7 3UH0 TSB 0.005791 0.42938 4.85075
8 2V2V V12 0.01495 0.42188 4.85075
9 4AQL TXC 0.01373 0.4165 4.85075
10 4IRL MTT 0.00901 0.41681 5.04202
11 1WUB OTP 0.02838 0.40914 5.05618
12 2Y6P CTP 0.004604 0.40914 5.12821
13 2Q0D ATP 0.002667 0.46727 5.59701
14 2Z77 HE7 0.01138 0.41404 5.59701
15 1WNG SAH 0.03029 0.40239 5.59701
16 3K4Z CBI 0.003224 0.40249 5.97015
17 2WT2 GAL NAG GAL NAG GAL NAG 0.009571 0.41161 6.12245
18 1XNK XS2 0.009889 0.40585 6.12245
19 3B00 16A 0.009816 0.40037 6.34328
20 4Q0L V14 0.008386 0.43041 6.84411
21 1JGL EST 0.03503 0.40561 7.08955
22 3HQP OXL 0.005336 0.40331 7.08955
23 2YNM PMR 0.001295 0.45738 7.46269
24 3HST MLR 0.005203 0.42811 7.46269
25 4GCZ FMN 0.01701 0.40333 7.53247
26 1TMO 2MD 0.02209 0.41987 7.83582
27 3ZW2 NAG GAL FUC 0.002075 0.43018 8.04598
28 4CS4 ANP 0.01578 0.41915 8.58209
29 4CS4 AXZ 0.01928 0.41915 8.58209
30 1NMU MTT 0.004782 0.43982 8.65385
31 3ZXE PGZ 0.0006842 0.44592 9.02256
32 5A65 TPP 0.01439 0.40401 9.67742
33 4M1U MBG A2G 0.02939 0.40018 10
34 3K8D CTP 0.01066 0.42113 11.3636
35 2Z6D FMN 0.008066 0.41648 11.5385
36 3N0Y APC 0.003934 0.43405 11.7318
37 1FLR FLU 0.02796 0.411 12.3288
38 4YLZ LAT NAG GAL 0.00125 0.43413 13.7255
39 2E27 AB0 0.02395 0.40259 17.6471
40 3O3U MLR 0.006485 0.42569 22.7612
41 1KJ1 MAN 0.00000001213 0.63259 33.945
42 4OIT MAN 0.00000002121 0.64483 35.3982
43 4OIT BMA 0.00000002546 0.64149 35.3982
44 1NPL MAN MAN 0.000037 0.54668 37.6147
45 3A0E M3M 0.00003958 0.55918 40
Pocket No.: 3; Query (leader) PDB : 4LED; Ligand: XXR; 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: 4led.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4LED; Ligand: XXR; Similar sites found: 9
This union binding pocket(no: 4) in the query (biounit: 4led.bio2) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2GSU AMP 0.02263 0.4049 1.78117
2 3AHO 3A2 0.02075 0.40729 2.23881
3 4ANW O92 0.0243 0.40341 2.23881
4 3ZKI WZV 0.01218 0.40886 4.47761
5 1ZM1 BGC BGC BGC 0.007301 0.40929 4.56432
6 3RGA LSB 0.007282 0.40728 4.85075
7 4FFG 0U8 0.00902 0.40253 10.0746
8 4HP0 NOJ NAG NAG NAG 0.03149 0.40446 11.6279
9 1TW4 CHD 0.01847 0.41095 14.4
Pocket No.: 5; Query (leader) PDB : 4LED; Ligand: XXR; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 4led.bio2) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 4LED; Ligand: XXR; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 4led.bio2) has 7 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 4LED; Ligand: XXR; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 4led.bio2) has 3 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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