Receptor
PDB id Resolution Class Description Source Keywords
2YIP 2.14 Å NON-ENZYME: IMMUNE CRYSTAL STRUCTURE OF PARASITE SARCOCYSTIS MURIS MICRONEME PROTEIN SML-2 IN COMPLEX WITH 1-THIO-BETA-D-GALACTOSE ( S PACEGROUP P212121) SARCOCYSTIS MURIS SUGAR BINDING PROTEIN APPLE-DOMAIN TANDEM REPEAT PAN_AP PGALACTOSE-BINDING LECTIN CELLULAR ADHESION MICRONEMAL PRO
Ref.: PAN-MODULAR STRUCTURE OF MICRONEME PROTEIN SML-2 FR PARASITE SARCOCYSTIS MURIS AT 1.95 A RESOLUTION AND COMPLEX WITH 1-THIO-BETA-D-GALACTOSE. ACTA CRYSTALLOGR.,SECT.D V. D67 936 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:1136;
A:1137;
A:1138;
A:1139;
B:1137;
C:1138;
C:1139;
D:1136;
D:1137;
F:1137;
F:1138;
F:1139;
F:1140;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
35.453 Cl [Cl-]
GOL B:1136;
C:1136;
C:1137;
E:1136;
E:1137;
E:1138;
F:1136;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
YIO A:1135;
B:1135;
C:1135;
D:1135;
E:1135;
F:1135;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
submit data
196.221 C6 H12 O5 S C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2YIP 2.14 Å NON-ENZYME: IMMUNE CRYSTAL STRUCTURE OF PARASITE SARCOCYSTIS MURIS MICRONEME PROTEIN SML-2 IN COMPLEX WITH 1-THIO-BETA-D-GALACTOSE ( S PACEGROUP P212121) SARCOCYSTIS MURIS SUGAR BINDING PROTEIN APPLE-DOMAIN TANDEM REPEAT PAN_AP PGALACTOSE-BINDING LECTIN CELLULAR ADHESION MICRONEMAL PRO
Ref.: PAN-MODULAR STRUCTURE OF MICRONEME PROTEIN SML-2 FR PARASITE SARCOCYSTIS MURIS AT 1.95 A RESOLUTION AND COMPLEX WITH 1-THIO-BETA-D-GALACTOSE. ACTA CRYSTALLOGR.,SECT.D V. D67 936 2011
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 208 families.
1 2YIP - YIO C6 H12 O5 S C([C@@H]1[....
2 2YIO - YIO C6 H12 O5 S C([C@@H]1[....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 62 families.
1 2YIP - YIO C6 H12 O5 S C([C@@H]1[....
2 2YIO - YIO C6 H12 O5 S C([C@@H]1[....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 42 families.
1 2YIP - YIO C6 H12 O5 S C([C@@H]1[....
2 2YIO - YIO C6 H12 O5 S C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: YIO; Similar ligands found: 19
No: Ligand ECFP6 Tc MDL keys Tc
1 YIO 1 1
2 GLC MA1 0.478261 0.882353
3 BMA 0.441176 0.870968
4 MAN 0.441176 0.870968
5 BGC 0.441176 0.870968
6 GIV 0.441176 0.870968
7 WOO 0.441176 0.870968
8 GAL 0.441176 0.870968
9 ALL 0.441176 0.870968
10 GLC 0.441176 0.870968
11 GLA 0.441176 0.870968
12 GXL 0.441176 0.870968
13 GLC SSG SSG SGC 0.44 0.882353
14 RIB 0.419355 0.757576
15 AHR 0.419355 0.757576
16 Z6J 0.419355 0.757576
17 32O 0.419355 0.757576
18 FUB 0.419355 0.757576
19 GLF 0.416667 0.794118
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2YIP; Ligand: YIO; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 2yip.bio2) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2YIP; Ligand: YIO; 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: 2yip.bio2) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2YIP; Ligand: YIO; 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: 2yip.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2YIP; Ligand: YIO; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 2yip.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 2YIP; Ligand: YIO; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 2yip.bio3) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 2YIP; Ligand: YIO; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 2yip.bio3) has 10 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback