Receptor
PDB id Resolution Class Description Source Keywords
1X9D 1.41 Å EC: 3.2.1.113 CRYSTAL STRUCTURE OF HUMAN CLASS I ALPHA-1,2-MANNOSIDASE IN WITH THIO-DISACCHARIDE SUBSTRATE ANALOGUE HOMO SAPIENS MANNOSIDASE SUBSTRATE ANALOGUE GLYCOSYL HYDROLASE HYDROLA
Ref.: MECHANISM OF CLASS 1 (GLYCOSYLHYDROLASE FAMILY 47) {ALPHA}-MANNOSIDASES INVOLVED IN N-GLYCAN PROCESSIN ENDOPLASMIC RETICULUM QUALITY CONTROL. J.BIOL.CHEM. V. 280 16197 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BU1 A:1004;
Invalid;
none;
submit data
90.121 C4 H10 O2 C(CCO...
CA A:1001;
Part of Protein;
none;
submit data
40.078 Ca [Ca+2...
SMD A:1003;
Valid;
none;
Kd = 110 uM
372.389 C13 H24 O10 S CO[C@...
SO4 A:1002;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1X9D 1.41 Å EC: 3.2.1.113 CRYSTAL STRUCTURE OF HUMAN CLASS I ALPHA-1,2-MANNOSIDASE IN WITH THIO-DISACCHARIDE SUBSTRATE ANALOGUE HOMO SAPIENS MANNOSIDASE SUBSTRATE ANALOGUE GLYCOSYL HYDROLASE HYDROLA
Ref.: MECHANISM OF CLASS 1 (GLYCOSYLHYDROLASE FAMILY 47) {ALPHA}-MANNOSIDASES INVOLVED IN N-GLYCAN PROCESSIN ENDOPLASMIC RETICULUM QUALITY CONTROL. J.BIOL.CHEM. V. 280 16197 2005
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1X9D Kd = 110 uM SMD C13 H24 O10 S CO[C@@H]1[....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 5KIJ - NAG BMA MAN MAN MAN MAN MAN MAN MAN n/a n/a
2 1FO2 ic50 = 20 uM DMJ C6 H13 N O4 C1[C@H]([C....
3 1FO3 ic50 = 0.2 uM KIF C8 H12 N2 O6 C([C@@H]1[....
4 5KK7 - SMD C13 H24 O10 S CO[C@@H]1[....
5 1X9D Kd = 110 uM SMD C13 H24 O10 S CO[C@@H]1[....
50% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 5KKB - BMA NAG MAN MAN MAN MAN MAN MAN MAN n/a n/a
2 2RI9 Ki = 0.6 mM MMA LDY n/a n/a
3 1KRE - DMJ C6 H13 N O4 C1[C@H]([C....
4 5KIJ - NAG BMA MAN MAN MAN MAN MAN MAN MAN n/a n/a
5 1FO2 ic50 = 20 uM DMJ C6 H13 N O4 C1[C@H]([C....
6 1FO3 ic50 = 0.2 uM KIF C8 H12 N2 O6 C([C@@H]1[....
7 5KK7 - SMD C13 H24 O10 S CO[C@@H]1[....
8 1DL2 - NDG NAG NDG BMA MAN MAN MAN MAN n/a n/a
9 1G6I - DMJ C6 H13 N O4 C1[C@H]([C....
10 1X9D Kd = 110 uM SMD C13 H24 O10 S CO[C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SMD; Similar ligands found: 28
No: Ligand ECFP6 Tc MDL keys Tc
1 SMD 1 1
2 BGC SGC SGC GTM 0.637931 1
3 BGC SSG SSG SGC MA3 0.637931 1
4 GLC SSG SGC SGC MA3 0.637931 1
5 WZ1 0.625 1
6 WZ2 0.537313 1
7 TDG 0.520833 0.894737
8 1LL 0.520833 0.894737
9 GLC SGC 0.508772 0.921053
10 TCB 0.508772 0.921053
11 GLC SGC SGC MGL 0.5 1
12 GLC MA1 0.491525 0.894737
13 GTM BGC BGC 0.485714 1
14 GS1 GLC GS1 0.47541 0.921053
15 SGC SGC BGC 0.47541 0.921053
16 MA2 MA3 0.467742 0.9
17 GLC SSG SSG SGC 0.460317 0.894737
18 AMG 0.45098 0.842105
19 GYP 0.45098 0.842105
20 MMA 0.45098 0.842105
21 MBG 0.45098 0.842105
22 BGC BGC SGC MGL 0.44 1
23 MGL SGC GLC GLC 0.44 1
24 MGL SGC BGC BGC 0.44 1
25 IPT 0.433962 0.775
26 TM6 0.432432 0.947368
27 BGC SGC BGC SGC BGC SGC BGC SGC 0.432432 0.947368
28 TM5 0.421053 0.947368
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1X9D; Ligand: SMD; 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: 1x9d.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
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