Receptor
PDB id Resolution Class Description Source Keywords
4NRR 2.4 Å EC: 3.2.1.25 CRYSTAL STRUCTURE OF GLYCOSIDE HYDROLASE FAMILY 5 MANNOSIDAS MUTANT) FROM RHIZOMUCOR MIEHEI IN COMPLEX WITH MANNOSYL-FRU RHIZOMUCOR MIEHEI TIM BARREL HYDROLASE EXTRACELLULAR PROTEIN
Ref.: STRUCTURAL INSIGHTS INTO THE SUBSTRATE SPECIFICITY TRANSGLYCOSYLATION ACTIVITY OF A FUNGAL GLYCOSIDE H FAMILY 5 BETA-MANNOSIDASE. ACTA CRYSTALLOGR.,SECT.D V. 70 2970 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FRU BMA D:1;
C:1;
 Valid;
Valid;
 none;
none;
 submit data
342.297 n/a O(C1C...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4LYQ 2 Å EC: 3.2.1.25 CRYSTAL STRUCTURE OF GLYCOSIDE HYDROLASE FAMILY 5 MANNOSIDAS RHIZOMUCOR MIEHEI, E202A MUTANT RHIZOMUCOR MIEHEI PROTEIN-MANNOTRIOSE COMPLEX TIM BARREL HYDROLASE EXTRACELPROTEIN
Ref.: STRUCTURAL INSIGHTS INTO THE SUBSTRATE SPECIFICITY TRANSGLYCOSYLATION ACTIVITY OF A FUNGAL GLYCOSIDE H FAMILY 5 BETA-MANNOSIDASE. ACTA CRYSTALLOGR.,SECT.D V. 70 2970 2014
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4LYQ - MAN BMA BMA n/a n/a
2 4NRR - FRU BMA n/a n/a
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4LYQ - MAN BMA BMA n/a n/a
2 4NRR - FRU BMA n/a n/a
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4LYQ - MAN BMA BMA n/a n/a
2 4NRR - FRU BMA n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: FRU BMA; Similar ligands found: 48
No: Ligand ECFP6 Tc MDL keys Tc
1 FRU BMA 1 1
2 FRU BGC BGC BGC 0.833333 0.973684
3 FRU GLC 0.551724 1
4 BQZ 0.519231 0.763158
5 MBG GLA 0.5 0.8
6 Z9N GLC 0.483871 1
7 RZM 0.474576 0.777778
8 BGC GLA GAL 0.473684 0.842105
9 GAL GLA 0.465517 0.842105
10 BDF GLC 0.461538 0.871795
11 MGL GAL 0.45 0.8
12 MBG GAL 0.45 0.8
13 RR7 GLC 0.442623 0.894737
14 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.435484 0.842105
15 FUC GAL 0.435484 0.794872
16 MAN BMA BMA BMA BMA BMA BMA 0.435484 0.842105
17 GLC GLC GLC GLC BGC GLC GLC 0.435484 0.842105
18 GLC BGC BGC BGC 0.428571 0.842105
19 BGC BGC BGC 0.428571 0.842105
20 BGC BGC BGC BGC BGC BGC BGC 0.428571 0.842105
21 MAN IPD MAN 0.428571 0.717391
22 5QP 0.428571 0.794872
23 BGC BGC BGC BGC BGC BGC 0.428571 0.842105
24 BGC BGC BGC BGC BGC 0.428571 0.842105
25 BGC OXZ 0.421875 0.647059
26 IPD MAN 0.421875 0.673913
27 9MR 0.421875 0.717391
28 GLC EDO GLC 0.421875 0.846154
29 IFM BGC 0.421875 0.6875
30 AHR FUB 0.418182 0.864865
31 MGC GAL 0.41791 0.615385
32 NAG GAL 0.41791 0.64
33 GLC DMJ 0.415385 0.64
34 NOY BGC 0.415385 0.615385
35 NOJ GLC 0.415385 0.64
36 MAN MNM 0.415385 0.615385
37 MAN MAN 0.409836 0.794872
38 BGC XGP 0.409091 0.717391
39 ABL 0.409091 0.647059
40 GCU BGC 0.409091 0.775
41 CJX 0.409091 0.66
42 DGO MAN 0.40625 0.775
43 GPM GLC 0.402985 0.73913
44 MAN G63 0.402985 0.603774
45 GDQ GLC 0.402985 0.615385
46 BGC GAL GLA 0.402985 0.842105
47 G2F BGC BGC BGC BGC BGC 0.4 0.744186
48 NAG BMA 0.4 0.603774
Similar Ligands (3D)
Ligand no: 1; Ligand: FRU BMA; Similar ligands found: 4
No: Ligand Similarity coefficient
1 BMA BMA 0.9569
2 BGC BGC 0.9220
3 BGC BMA 0.9097
4 FRU GAL 0.9039
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4LYQ; Ligand: MAN BMA BMA; 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: 4lyq.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
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