Receptor
PDB id Resolution Class Description Source Keywords
3WAS 1.5 Å EC: 2.4.1.281 CRYSTAL STRUCTURE OF 4-O-BETA-D-MANNOSYL-D-GLUCOSE PHOSPHORY COMPLEXED WITH MAN-GLC+PO4 BACTEROIDES FRAGILIS 5-BLADED BETA PROPELLER FOLD PHOSPHORYLASE MANNAN BIODEGRATRANSFERASE
Ref.: STRUCTURE OF NOVEL ENZYME IN MANNAN BIODEGRADATION 4-O-BETA-D-MANNOSYL-D-GLUCOSE PHOSPHORYLASE MGP J.MOL.BIOL. V. 425 4468 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PO4 A:402;
B:401;
B:402;
A:401;
 Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
 submit data
94.971 O4 P [O-]P...
BGC BMA D:1;
C:1;
 Valid;
Valid;
 none;
none;
 submit data
n/a n/a
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3WAS 1.5 Å EC: 2.4.1.281 CRYSTAL STRUCTURE OF 4-O-BETA-D-MANNOSYL-D-GLUCOSE PHOSPHORY COMPLEXED WITH MAN-GLC+PO4 BACTEROIDES FRAGILIS 5-BLADED BETA PROPELLER FOLD PHOSPHORYLASE MANNAN BIODEGRATRANSFERASE
Ref.: STRUCTURE OF NOVEL ENZYME IN MANNAN BIODEGRADATION 4-O-BETA-D-MANNOSYL-D-GLUCOSE PHOSPHORYLASE MGP J.MOL.BIOL. V. 425 4468 2013
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3WAS - BGC BMA n/a n/a
2 3WAT - BGC C6 H12 O6 C([C@@H]1[....
3 3WAU - M1P C6 H13 O9 P C([C@@H]1[....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5AYC - BGC BMA n/a n/a
2 3WAS - BGC BMA n/a n/a
3 3WAT - BGC C6 H12 O6 C([C@@H]1[....
4 3WAU - M1P C6 H13 O9 P C([C@@H]1[....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5AYC - BGC BMA n/a n/a
2 3WAS - BGC BMA n/a n/a
3 3WAT - BGC C6 H12 O6 C([C@@H]1[....
4 3WAU - M1P C6 H13 O9 P C([C@@H]1[....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: BGC BMA; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Ligands (3D)
Ligand no: 1; Ligand: BGC BMA; Similar ligands found: 27
No: Ligand Similarity coefficient
1 BGC BMA 1.0000
2 BMA BMA 0.9658
3 MYG 0.9163
4 FRU BMA 0.9097
5 BGC GLC 0.8844
6 XYA 0.8824
7 ADN 0.8820
8 FM1 0.8811
9 FMB 0.8800
10 RR7 GLC 0.8784
11 TAL 0.8750
12 FM2 0.8718
13 NOS 0.8710
14 TBN 0.8702
15 SGC GLC 0.8688
16 5AD 0.8677
17 FMC 0.8677
18 RAB 0.8667
19 IMH 0.8652
20 GMP 0.8605
21 AFX 0.8595
22 MA1 GLC 0.8567
23 5ID 0.8547
24 MTP 0.8543
25 2FA 0.8537
26 6GR 0.8535
27 MTA 0.8532
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3WAS; Ligand: BGC 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: 3was.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3WAS; Ligand: BGC BMA; Similar sites found with APoc: 4
This union binding pocket(no: 2) in the query (biounit: 3was.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 4UDK BMA 38.6167
2 4UDK BMA 38.6167
3 4UDK BMA 38.6167
4 4UDK BMA 38.6167
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