Receptor
PDB id Resolution Class Description Source Keywords
4CSD 1.35 Å NON-ENZYME: BINDING STRUCTURE OF MONOMERIC RALSTONIA SOLANACEARUM LECTIN RALSTONIA SOLANACEARUM FUCOSE-BINDING PROTEIN BETA PROPELLER
Ref.: MEMBRANE DEFORMATION BY NEOLECTINS WITH ENGINEERED GLYCOLIPID BINDING SITES. ANGEW.CHEM.INT.ED.ENGL. V. 53 9267 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MFU A:303;
A:306;
B:305;
B:303;
B:301;
B:304;
A:305;
A:302;
B:302;
B:306;
A:301;
A:304;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
Kd = 0.9 uM
178.183 C7 H14 O5 C[C@H...
GOL A:307;
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
4CSD 1.35 Å NON-ENZYME: BINDING STRUCTURE OF MONOMERIC RALSTONIA SOLANACEARUM LECTIN RALSTONIA SOLANACEARUM FUCOSE-BINDING PROTEIN BETA PROPELLER
Ref.: MEMBRANE DEFORMATION BY NEOLECTINS WITH ENGINEERED GLYCOLIPID BINDING SITES. ANGEW.CHEM.INT.ED.ENGL. V. 53 9267 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 473 families.
1 4CSD Kd = 0.9 uM MFU C7 H14 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 355 families.
1 4CSD Kd = 0.9 uM MFU C7 H14 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 272 families.
1 4CSD Kd = 0.9 uM MFU C7 H14 O5 C[C@H]1[C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MFU; Similar ligands found: 8
No: Ligand ECFP6 Tc MDL keys Tc
1 MFU 1 1
2 MFB 1 1
3 FSW 0.5 0.827586
4 MBG 0.410256 0.727273
5 MMA 0.410256 0.727273
6 GYP 0.410256 0.727273
7 AMG 0.410256 0.727273
8 2M5 0.4 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4CSD; Ligand: MFU; Similar sites found: 28
This union binding pocket(no: 1) in the query (biounit: 4csd.bio2) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1EWJ BLM 0.03858 0.4045 None
2 4XAC AKG 0.00983 0.40407 1.19048
3 4B7P 9UN 0.04265 0.41655 1.73913
4 2XMY CDK 0.04155 0.42622 1.83824
5 3NNF AKG 0.006319 0.40387 1.83824
6 3WXL ADP 0.009834 0.40159 2.20588
7 5I2E 67D 0.03911 0.4199 2.32558
8 3AFN NAP 0.02817 0.41732 2.32558
9 3ZOK NAD 0.02019 0.42241 2.57353
10 2X4Z X4Z 0.03102 0.4145 2.57353
11 4J25 OGA 0.003878 0.42379 2.62009
12 2OFV 242 0.03098 0.41469 2.94118
13 5JSP DQY 0.007899 0.40907 2.98507
14 2HZQ STR 0.00341 0.4271 3.44828
15 2J62 GSZ 0.03415 0.40277 3.67647
16 3PE2 E1B 0.02015 0.43511 4.04412
17 4EIP K2C 0.03431 0.42455 4.04412
18 5BV3 M7G 0.007648 0.4282 4.41176
19 4NS0 PIO 0.004591 0.43408 4.51128
20 4N65 FMN 0.03888 0.40358 4.71698
21 4XB2 NDP 0.02379 0.40972 4.77941
22 4B1M FRU FRU 0.006992 0.40309 5.40541
23 3MTX PGT 0.009937 0.44028 7.28477
24 1J3R 6PG 0.01407 0.40493 8.94737
25 2YIP YIO 0.01027 0.41328 11.5942
26 5I8T LAC 0.002941 0.4217 14.5251
27 1MJJ HAL 0.01929 0.41567 15.0685
28 1REQ DCA 0.04248 0.41303 17.2794
Pocket No.: 2; Query (leader) PDB : 4CSD; Ligand: MFU; 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: 4csd.bio2) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4CSD; Ligand: MFU; 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: 4csd.bio2) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4CSD; Ligand: MFU; 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: 4csd.bio2) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 4CSD; Ligand: MFU; 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: 4csd.bio2) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 4CSD; Ligand: MFU; 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: 4csd.bio2) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 4CSD; Ligand: MFU; Similar sites found: 10
This union binding pocket(no: 7) in the query (biounit: 4csd.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1DRY AAG 0.0291 0.40961 None
2 1DZT ATY 0.01258 0.40197 None
3 4CLI 5P8 0.01383 0.44198 1.10294
4 1XG4 ICT 0.01783 0.41017 1.10294
5 3NW7 LGV 0.02041 0.43379 1.83824
6 5HV0 AKG 0.01682 0.40478 2.30415
7 3R5Y F42 0.03717 0.40139 2.72109
8 3E8T UQ8 0.04821 0.42034 3.63636
9 4ITM ATP 0.0359 0.40213 4.41176
10 4JN6 OXL 0.007784 0.40343 6.98529
Pocket No.: 8; Query (leader) PDB : 4CSD; Ligand: MFU; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 4csd.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 4CSD; Ligand: MFU; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 4csd.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 4CSD; Ligand: MFU; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 4csd.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 4CSD; Ligand: MFU; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 11) in the query (biounit: 4csd.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 4CSD; Ligand: MFU; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 12) in the query (biounit: 4csd.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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