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 A:3001;
B:3001;
D:2001;
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 A:1001;
C:1001;
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 15 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 ACR C25 H43 N O18 C[C@@H]1[C....
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 (13)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 3W37 - ACR C25 H43 N O18 C[C@@H]1[C....
2 3WEO Ki = 0.888 uM ACR GLC GLC GLC GLC n/a n/a
3 3WEL Ki = 2.66 uM ACR GLC 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 ACR C25 H43 N O18 C[C@@H]1[C....
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 3LPP Ki = 0.6 uM KTL C12 H24 O12 S2 C1[C@H]([C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: KTL; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 KTL 1 1
2 NR3 1 1
3 NR4 1 1
4 BJ1 0.716667 1
5 DSK 0.583333 0.716981
6 SSO 0.470588 0.943396
7 SSD 0.470588 0.943396
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3LPP; Ligand: KTL; Similar sites found: 29
This union binding pocket(no: 1) in the query (biounit: 3lpp.bio4) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1KTC NGA 0.007088 0.42451 1.7284
2 3A23 GAL 0.003703 0.4387 2.11726
3 2HUI GLV 0.02685 0.40539 2.29008
4 4YRD 3IT 0.01796 0.40259 2.50696
5 3ANY 2A3 0.00871 0.41615 2.6616
6 4NZF ARB 0.003363 0.4408 2.90179
7 4JIE BMA 0.02397 0.40032 3.18091
8 1VBJ CIT 0.02266 0.40503 3.20285
9 5SWI BMA 0.007815 0.41243 3.20781
10 3WWC BUA 0.02352 0.4003 3.84615
11 3H55 GLA 0.002843 0.41219 4
12 5M12 7D0 0.0003247 0.47305 4.78842
13 5EGH PC 0.0146 0.40007 5.12821
14 4OTK MLI 0.02636 0.40289 5.66038
15 4YEF 4CQ 0.01397 0.4052 6.74157
16 1UAS GLA 0.002848 0.43903 6.90608
17 2CBO TH2 0.02432 0.40039 6.95652
18 5NBW 8SK 0.0107 0.40247 12.1622
19 4AMW 5DI 0.0000000006923 0.78697 20.0445
20 5I0F GLC GLC 0.00000517 0.52019 23.1924
21 5F7U GLC GLC GLC 0.000002246 0.55796 23.8307
22 2XVL PXN 0.01818 0.40067 24.833
23 5AEE NSQ 0.0003789 0.45935 25.3898
24 5DKY NOJ 0.00000000001271 0.7661 33.7416
25 2F2H XTG 0.0000003432 0.53369 34.1527
26 4B9Z ACR 0.000000004518 0.65882 35.8629
27 5HJO XD3 0.000000000002747 0.86314 43.7573
28 5H9O GLC 0.00000000007092 0.78227 43.7573
29 3MKK GLC BGC 0.00000000003691 0.80943 45.4955
Pocket No.: 2; Query (leader) PDB : 3LPP; Ligand: KTL; Similar sites found: 2
This union binding pocket(no: 2) in the query (biounit: 3lpp.bio2) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5D6T NGA 0.003591 0.40746 2.57353
2 3QPB URA 0.01575 0.40975 4.60993
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