Receptor
PDB id Resolution Class Description Source Keywords
5MUL 1.39 Å EC: 7.-.-.- GLYCOSIDE HYDROLASE BT3686 BOUND TO GLUCURONIC ACID BACTEROIDES THETAIOTAOMICRON (STRAIN A/ DSM 2079 / NCTC 10582 / E50 / VPI-5482) RHAMNOSIDASE BACTEROIDES BETA-PROPELLER HYDROLASE
Ref.: UNUSUAL ACTIVE SITE LOCATION AND CATALYTIC APPARATU GLYCOSIDE HYDROLASE FAMILY. PROC. NATL. ACAD. SCI. V. 114 4936 2017 U.S.A.
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BDP A:501;
Valid;
none;
submit data
194.139 C6 H10 O7 [C@@H...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5MUL 1.39 Å EC: 7.-.-.- GLYCOSIDE HYDROLASE BT3686 BOUND TO GLUCURONIC ACID BACTEROIDES THETAIOTAOMICRON (STRAIN A/ DSM 2079 / NCTC 10582 / E50 / VPI-5482) RHAMNOSIDASE BACTEROIDES BETA-PROPELLER HYDROLASE
Ref.: UNUSUAL ACTIVE SITE LOCATION AND CATALYTIC APPARATU GLYCOSIDE HYDROLASE FAMILY. PROC. NATL. ACAD. SCI. V. 114 4936 2017 U.S.A.
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 250 families.
1 5MUL - BDP C6 H10 O7 [C@@H]1([C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 217 families.
1 5MUL - BDP C6 H10 O7 [C@@H]1([C....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 181 families.
1 5MUL - BDP C6 H10 O7 [C@@H]1([C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BDP; Similar ligands found: 8
No: Ligand ECFP6 Tc MDL keys Tc
1 ADA 1 1
2 BDP 1 1
3 GTR 1 1
4 GCU 1 1
5 AD0 0.458333 0.821429
6 GCW 0.45 0.884615
7 GCV 0.45 0.884615
8 TGU 0.423077 0.821429
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5MUL; Ligand: BDP; Similar sites found: 35
This union binding pocket(no: 1) in the query (biounit: 5mul.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2DVZ GLU 0.04927 0.4023 1.59236
2 5DB3 58Q 0.01246 0.42461 1.62413
3 5JXZ ISJ 0.01083 0.41629 1.79028
4 5JXZ ISC 0.01203 0.41592 1.79028
5 5JY4 ISC 0.01767 0.40519 1.79028
6 1V47 ADX 0.014 0.41896 2.29226
7 1RX0 2MC 0.03151 0.40629 2.5522
8 5VYQ FON 0.01267 0.41112 2.7451
9 4R0M FA5 0.03521 0.40496 3.01624
10 2VG1 FPP 0.0227 0.41151 3.50877
11 1I7L ATP 0.03351 0.40111 3.55987
12 1MJH ATP 0.02615 0.40463 3.7037
13 3ICT FAD 0.04694 0.40671 3.7415
14 3QDL FMN 0.01589 0.41291 3.80952
15 4J4H 1J1 0.04447 0.41809 3.861
16 4J4H NAI 0.04447 0.41809 3.861
17 1RC0 KT5 0.03321 0.41123 4.30622
18 5GLN XYS 0.01866 0.42031 4.36047
19 5GLN XYP XYP XYP 0.01866 0.42031 4.36047
20 1ZCB GDP 0.01438 0.42283 4.41989
21 4RIF 3R2 0.02911 0.40891 5.27704
22 1Z08 GNP 0.03272 0.40496 5.29412
23 3CV2 COA 0.004593 0.41901 5.56845
24 4P32 ADP 0.02123 0.41081 5.62249
25 4K49 HFQ 0.01185 0.44043 5.88235
26 1UTJ ABN 0.03136 0.4001 7.02479
27 2IFW ACE PHE LYS PHE PSA LEU AAR 0.00788 0.44567 7.19258
28 1ICV FMN 0.02377 0.40701 7.8341
29 2ED4 FAD 0.02193 0.41655 8.05369
30 3HGM ATP 0.0295 0.40094 9.52381
31 4UP3 FAD 0.02329 0.42728 10.1911
32 3ITJ FAD 0.02632 0.43194 12.065
33 1U0J ADP 0.01433 0.40273 12.7341
34 1Q72 COC 0.01276 0.43054 16.1435
35 5K2M ADP 0.03666 0.4006 24.5283
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