Receptor
PDB id Resolution Class Description Source Keywords
3LPP 2.15 Å EC: 3.2.1.10 CRYSTAL COMPLEX OF N-TERMINAL SUCRASE-ISOMALTASE WITH KOTALA HOMO SAPIENS GLYCOSIDE HYDROLASE FAMILY 31 ISOMALTASE ALPHA-GLUCOSIDASEMEMBRANE DISEASE MUTATION DISULFIDE BOND GLYCOPROTEIN GLYCOSIDASE HYDROLASE MEMBRANE MULTIFUNCTIONAL ENZYME POLYMORPHISM SIGNAL-ANCHOR SULFATION TRANSMEMBRANE
Ref.: STRUCTURAL BASIS FOR SUBSTRATE SELECTIVITY IN HUMAN MALTASE-GLUCOAMYLASE AND SUCRASE-ISOMALTASE N-TERMI DOMAINS. J.BIOL.CHEM. V. 285 17763 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BMA B:3003;
 Invalid;
 none;
 submit data
180.156 C6 H12 O6 C([C@...
CL A:8001;
 Invalid;
 none;
 submit data
35.453 Cl [Cl-]
KTL B:5001;
D:5001;
 Valid;
Valid;
 none;
none;
 Ki = 0.6 uM
424.442 C12 H24 O12 S2 C1[C@...
NAG A:2001;
A:4001;
B:2001;
C:2001;
C:3001;
C:4001;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
none;
none;
 submit data
221.208 C8 H15 N O6 CC(=O...
NAG NAG F:1;
G:1;
I:1;
 Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
 submit data
408.404 n/a O=C(N...
NAG NAG BMA MAN H:1;
E:1;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
732.686 n/a O=C(N...
PEG A:7001;
B:7001;
C:7001;
D:7001;
 Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
 submit data
106.12 C4 H10 O3 C(COC...
TRS A:6001;
C:6001;
 Invalid;
Invalid;
 none;
none;
 submit data
122.143 C4 H12 N O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3LPP 2.15 Å EC: 3.2.1.10 CRYSTAL COMPLEX OF N-TERMINAL SUCRASE-ISOMALTASE WITH KOTALA HOMO SAPIENS GLYCOSIDE HYDROLASE FAMILY 31 ISOMALTASE ALPHA-GLUCOSIDASEMEMBRANE DISEASE MUTATION DISULFIDE BOND GLYCOPROTEIN GLYCOSIDASE HYDROLASE MEMBRANE MULTIFUNCTIONAL ENZYME POLYMORPHISM SIGNAL-ANCHOR SULFATION TRANSMEMBRANE
Ref.: STRUCTURAL BASIS FOR SUBSTRATE SELECTIVITY IN HUMAN MALTASE-GLUCOAMYLASE AND SUCRASE-ISOMALTASE N-TERMI DOMAINS. J.BIOL.CHEM. V. 285 17763 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3LPP Ki = 0.6 uM KTL C12 H24 O12 S2 C1[C@H]([C....
70% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 3L4W Ki = 1 uM MIG C8 H17 N O5 C1[C@@H]([....
2 3L4X Ki = 0.13 uM NR3 C12 H24 O12 S2 C1[C@H]([C....
3 3L4Y Ki = 0.1 uM NR4 C12 H24 O12 S2 C1[C@H]([C....
4 3CTT Ki = 0.45 uM 3CU C8 H15 N O5 C1[C@@H]([....
5 3L4V Ki = 0.19 uM KTL C12 H24 O12 S2 C1[C@H]([C....
6 2QMJ Ki = 62 uM GLC GLC AC1 n/a n/a
7 3L4T Ki = 3.8 uM BJ1 C10 H20 O10 S2 C1[C@H]([C....
8 3L4U Ki = 0.03 uM DSK C12 H25 O9 S C1[C@H]([C....
9 3L4Z Ki = 0.19 uM SSD C9 H18 O9 S2 C1[C@H]([C....
10 3LPP Ki = 0.6 uM KTL C12 H24 O12 S2 C1[C@H]([C....
50% Homology Family (17)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3W37 - GLC GLC AC1 n/a n/a
2 3WEO Ki = 0.888 uM GLC GLC GLC GLC GLC GLC AC1 n/a n/a
3 3WEL Ki = 2.66 uM GLC GLC GLC AC1 n/a n/a
4 3L4W Ki = 1 uM MIG C8 H17 N O5 C1[C@@H]([....
5 3L4X Ki = 0.13 uM NR3 C12 H24 O12 S2 C1[C@H]([C....
6 3L4Y Ki = 0.1 uM NR4 C12 H24 O12 S2 C1[C@H]([C....
7 3CTT Ki = 0.45 uM 3CU C8 H15 N O5 C1[C@@H]([....
8 3L4V Ki = 0.19 uM KTL C12 H24 O12 S2 C1[C@H]([C....
9 2QMJ Ki = 62 uM GLC GLC AC1 n/a n/a
10 3L4T Ki = 3.8 uM BJ1 C10 H20 O10 S2 C1[C@H]([C....
11 3L4U Ki = 0.03 uM DSK C12 H25 O9 S C1[C@H]([C....
12 3L4Z Ki = 0.19 uM SSD C9 H18 O9 S2 C1[C@H]([C....
13 5NN4 Kd = 11.57 mM SC2 C5 H9 N O3 S CC(=O)N[C@....
14 5NN8 - GLC GLC AC1 n/a n/a
15 5NN6 Ki = 3 uM MIG C8 H17 N O5 C1[C@@H]([....
16 5NN5 Ki = 3.4 uM NOJ C6 H13 N O4 C1[C@@H]([....
17 3LPP Ki = 0.6 uM KTL C12 H24 O12 S2 C1[C@H]([C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: KTL; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 NR3 1 1
2 KTL 1 1
3 NR4 1 1
4 BJ1 0.716667 1
5 DSK 0.583333 0.716981
6 SSD 0.470588 0.943396
7 SSO 0.470588 0.943396
Similar Ligands (3D)
Ligand no: 1; Ligand: KTL; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3LPP; Ligand: KTL; Similar sites found with APoc: 5
This union binding pocket(no: 1) in the query (biounit: 3lpp.bio4) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 5DKY NOJ 33.7416
2 5H9O GLC 43.7573
3 5HJO DGO Z61 43.7573
4 3MKK GLC BGC 45.4955
5 3MKK BGC GLC 45.4955
Pocket No.: 2; Query (leader) PDB : 3LPP; Ligand: KTL; Similar sites found with APoc: 5
This union binding pocket(no: 2) in the query (biounit: 3lpp.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 5DKY NOJ 33.7416
2 5H9O GLC 43.7573
3 5HJO DGO Z61 43.7573
4 3MKK GLC BGC 45.4955
5 3MKK BGC GLC 45.4955
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