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Receptor
PDB id Resolution Class Description Source Keywords
2FGQ 1.45 Å NON-ENZYME: OTHER HIGH RESOLUTION X-RAY STRUCTURE OF OMP32 IN COMPLEX WITH MAL DELFTIA ACIDOVORANS PORIN MALATE OUTER MEMBRANE PROTEIN MEMBRANE PROTEIN
Ref.: HIGH RESOLUTION CRYSTAL STRUCTURES AND MOLECULAR DY STUDIES REVEAL SUBSTRATE BINDING IN THE PORIN OMP32 J.BIOL.CHEM. V. 281 7413 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BOG X:1170;
Invalid;
none;
submit data
292.369 C14 H28 O6 CCCCC...
CA X:501;
X:502;
X:503;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
MLT X:700;
Valid;
none;
submit data
134.087 C4 H6 O5 C([C@...
SO4 X:600;
X:601;
Invalid;
Invalid;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2FGQ 1.45 Å NON-ENZYME: OTHER HIGH RESOLUTION X-RAY STRUCTURE OF OMP32 IN COMPLEX WITH MAL DELFTIA ACIDOVORANS PORIN MALATE OUTER MEMBRANE PROTEIN MEMBRANE PROTEIN
Ref.: HIGH RESOLUTION CRYSTAL STRUCTURES AND MOLECULAR DY STUDIES REVEAL SUBSTRATE BINDING IN THE PORIN OMP32 J.BIOL.CHEM. V. 281 7413 2006
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 2FGR - ASP ASN TRP GLN ASN GLY THR SER n/a n/a
2 1E54 - ASP ASN TRP GLN ASN GLY THR SER n/a n/a
3 2FGQ - MLT C4 H6 O5 C([C@H](C(....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 2FGR - ASP ASN TRP GLN ASN GLY THR SER n/a n/a
2 1E54 - ASP ASN TRP GLN ASN GLY THR SER n/a n/a
3 2FGQ - MLT C4 H6 O5 C([C@H](C(....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 2FGR - ASP ASN TRP GLN ASN GLY THR SER n/a n/a
2 1E54 - ASP ASN TRP GLN ASN GLY THR SER n/a n/a
3 2FGQ - MLT C4 H6 O5 C([C@H](C(....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MLT; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 LMR 1 1
2 MLT 1 1
3 DMR 1 1
4 DGY 0.52381 0.818182
5 3HG 0.52381 0.761905
6 3HL 0.5 0.666667
7 3HR 0.5 0.666667
8 TRC 0.478261 0.666667
9 S2G 0.461538 0.809524
10 2HG 0.461538 0.809524
11 2RH 0.458333 0.652174
12 ICT 0.444444 0.904762
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2FGQ; Ligand: MLT; Similar sites found with APoc: 29
This union binding pocket(no: 1) in the query (biounit: 2fgq.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 3NJ4 AFX 2.10843
2 3O8M BGC 2.10843
3 3O8M GLC 2.10843
4 4QYS PLP SEP 2.10843
5 3L4S 3PG 2.10843
6 3L4S NAD 2.10843
7 5M67 3D1 2.40964
8 5M67 NAD 2.40964
9 5M67 ADE 2.40964
10 5J6A P46 2.40964
11 3OND NAD 2.71084
12 3OND ADN 2.71084
13 6F3N ADN 3.01205
14 6F3N NAD 3.01205
15 6F3M ADN 3.01205
16 2FQO HYI 3.18471
17 1UP7 G6P 3.31325
18 2C6Q NDP 3.31325
19 3TMK T5A 3.7037
20 4XO8 KGM 3.79747
21 2ZJ1 ARJ 4.21687
22 2ZJ1 NAD 4.21687
23 1FK8 NAD 5.05837
24 3RUV ANP 5.12048
25 1FDQ HXA 5.34351
26 5EKO N17 6.3253
27 3VHH VHH 8.13008
28 2YVE MBT 8.64865
29 3MWS 017 11.1111
Pocket No.: 2; Query (leader) PDB : 2FGQ; Ligand: MLT; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2fgq.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2FGQ; Ligand: MLT; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 2fgq.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
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