Receptor
PDB id Resolution Class Description Source Keywords
5W7B 1.9 Å EC: 3.1.1.77 RABBIT ACYLOXYACYL HYDROLASE (AOAH), PROTEOLYTICALLY PROCESS MUTANT, WITH LPS ORYCTOLAGUS CUNICULUS LIPOPOLYSACCHARIDE LPS GDSL ESTERASE SAPOSIN HYDROLASE
Ref.: CRYSTAL STRUCTURE OF THE MAMMALIAN LIPOPOLYSACCHARI DETOXIFIER. PROC. NATL. ACAD. SCI. V. 115 E896 2018 U.S.A.
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAG NAG FUC D:604;
C:604;
Invalid;
Invalid;
none;
none;
submit data n/a n/a n/a n/a
SO4 C:609;
D:609;
Invalid;
Invalid;
none;
none;
submit data
96.063 O4 S [O-]S...
MYR A:210;
B:208;
Valid;
Valid;
none;
none;
submit data
228.371 C14 H28 O2 CCCCC...
PA1 PO4 FTT FTT GCS FTT PO4 KDO MYR A:206;
B:204;
Valid;
Valid;
none;
none;
submit data
1604.86 n/a P(=O)...
MES D:610;
B:203;
C:610;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
195.237 C6 H13 N O4 S C1COC...
PGE C:622;
D:616;
D:617;
D:615;
A:205;
C:621;
C:623;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
submit data
150.173 C6 H14 O4 C(COC...
CA D:602;
C:602;
D:603;
D:601;
C:601;
C:603;
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
40.078 Ca [Ca+2...
PEG C:619;
D:612;
A:204;
D:614;
C:611;
C:616;
D:613;
C:615;
D:611;
C:614;
C:612;
C:613;
C:618;
C:617;
A:203;
C:620;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
106.12 C4 H10 O3 C(COC...
NAG NAG C:607;
D:607;
Invalid;
Invalid;
none;
none;
submit data
408.404 n/a O=C(N...
1PE D:618;
D:619;
C:625;
C:624;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
238.278 C10 H22 O6 C(COC...
NAG FUC A:201;
B:201;
Invalid;
Invalid;
none;
none;
submit data
367.351 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5W7B 1.9 Å EC: 3.1.1.77 RABBIT ACYLOXYACYL HYDROLASE (AOAH), PROTEOLYTICALLY PROCESS MUTANT, WITH LPS ORYCTOLAGUS CUNICULUS LIPOPOLYSACCHARIDE LPS GDSL ESTERASE SAPOSIN HYDROLASE
Ref.: CRYSTAL STRUCTURE OF THE MAMMALIAN LIPOPOLYSACCHARI DETOXIFIER. PROC. NATL. ACAD. SCI. V. 115 E896 2018 U.S.A.
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 5W7B - MYR C14 H28 O2 CCCCCCCCCC....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 5W78 - MYR C14 H28 O2 CCCCCCCCCC....
2 5W7C - DAO FTT n/a n/a
3 5W7B - MYR C14 H28 O2 CCCCCCCCCC....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 5W78 - MYR C14 H28 O2 CCCCCCCCCC....
2 5W7C - DAO FTT n/a n/a
3 5W7B - MYR C14 H28 O2 CCCCCCCCCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MYR; Similar ligands found: 62
No: Ligand ECFP6 Tc MDL keys Tc
1 MYR 1 1
2 EW8 1 1
3 TDA 1 1
4 F15 1 1
5 PLM 1 1
6 STE 1 1
7 X90 1 1
8 DAO 1 1
9 KNA 1 1
10 DCR 1 1
11 F23 1 1
12 11A 1 1
13 DKA 1 1
14 OCA 0.956522 1
15 SHV 0.833333 0.952381
16 KTC 0.793103 0.875
17 AZ1 0.73913 0.64
18 6NA 0.72 0.904762
19 ELA 0.71875 0.954545
20 OLA 0.71875 0.954545
21 NER 0.71875 0.954545
22 VCA 0.666667 0.954545
23 PAM 0.666667 0.954545
24 PML 0.625 0.6
25 3LA 0.606061 0.8
26 LEA 0.6 0.809524
27 MYZ 0.588235 0.909091
28 12H 0.586207 0.615385
29 ODD 0.567568 0.913043
30 BRC 0.566667 0.666667
31 14V 0.555556 0.740741
32 M12 0.545455 0.869565
33 14U 0.542857 0.703704
34 EIC 0.538462 0.913043
35 EOD 0.538462 0.7
36 D0G 0.5 0.954545
37 BMJ 0.5 0.954545
38 BNV 0.5 0.954545
39 BUA 0.48 0.666667
40 RCL 0.468085 0.84
41 FTT 0.459459 0.807692
42 HXD 0.459459 0.807692
43 56S 0.459459 0.653846
44 ODT 0.452381 0.782609
45 3X1 0.444444 0.818182
46 LNL 0.44186 0.826087
47 9J6 0.441176 0.666667
48 OOA 0.441176 0.76
49 CUY 0.435897 0.68
50 6UL 0.435897 0.68
51 CNS 0.435897 0.68
52 5UF 0.432432 0.807692
53 243 0.428571 0.807692
54 1QW 0.418605 0.606061
55 GYM 0.418605 0.606061
56 O8N 0.413793 0.75
57 1DO 0.413793 0.75
58 PL3 0.413793 0.75
59 OC9 0.413793 0.75
60 DE1 0.413793 0.75
61 F09 0.413793 0.75
62 T25 0.403846 0.677419
Ligand no: 2; Ligand: PA1 PO4 FTT FTT GCS FTT PO4 KDO MYR; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 PA1 PO4 FTT FTT GCS FTT PO4 KDO MYR 1 1
2 LP4 LP5 MYR DAO 0.624242 0.985075
3 LP5 LP4 0.555556 0.985075
4 LP4 LP5 0.555556 0.985075
5 KDO KDO GN4 GN1 0.488095 0.895522
6 LP5 0.44 0.898551
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5W7B; Ligand: MYR; 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: 5w7b.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5W7B; Ligand: MYR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 5w7b.bio2) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5W7B; Ligand: PA1 PO4 FTT FTT GCS FTT PO4 KDO MYR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 5w7b.bio2) has 32 residues
No: Leader PDB Ligand Sequence Similarity
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