Receptor
PDB id Resolution Class Description Source Keywords
1GYE 2.5 Å EC: 3.2.1.99 STRUCTURE OF CELLVIBRIO CELLULOSA ALPHA-L-ARABINANASE COMPLE ARABINOHEXAOSE CELLVIBRIO CELLULOSA ARABINANASE HYDROLASE PROPELLER CATALYSIS CELLVIBRIO PS
Ref.: CELLVIBRIO JAPONICUS ALPHA-L-ARABINANASE 43A HAS A FIVE-BLADE BETA-PROPELLER FOLD. NAT. STRUCT. BIOL. V. 9 665 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AHR AHR AHR AHR AHR AHR A:1;
 Valid;
 none;
 submit data
810.705 n/a O(CC1...
CL B:901;
 Invalid;
 none;
 submit data
35.453 Cl [Cl-]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1GYE 2.5 Å EC: 3.2.1.99 STRUCTURE OF CELLVIBRIO CELLULOSA ALPHA-L-ARABINANASE COMPLE ARABINOHEXAOSE CELLVIBRIO CELLULOSA ARABINANASE HYDROLASE PROPELLER CATALYSIS CELLVIBRIO PS
Ref.: CELLVIBRIO JAPONICUS ALPHA-L-ARABINANASE 43A HAS A FIVE-BLADE BETA-PROPELLER FOLD. NAT. STRUCT. BIOL. V. 9 665 2002
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1GYE - AHR AHR AHR AHR AHR AHR n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1GYE - AHR AHR AHR AHR AHR AHR n/a n/a
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 6A8I - AHR AHR AHR AHR AHR AHR n/a n/a
2 3D5Z - FUB AHR AHR n/a n/a
3 6A8H - AHR AHR AHR n/a n/a
4 3D61 - FUB AHR n/a n/a
5 1GYE - AHR AHR AHR AHR AHR AHR n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: AHR AHR AHR AHR AHR AHR; Similar ligands found: 51
No: Ligand ECFP6 Tc MDL keys Tc
1 AHR AHR AHR AHR 1 1
2 AHR AHR AHR AHR AHR 1 1
3 AHR AHR AHR AHR AHR AHR 1 1
4 AHR AHR 0.923077 1
5 BGC GLC GLC GLC GLC 0.744681 0.857143
6 BGC GLC GLC GLC GLC GLC 0.744681 0.857143
7 AHR AHR AHR 0.634615 0.939394
8 BGC GLC GLC 0.586207 0.857143
9 6LW AHR 0.568627 0.653061
10 MMA MAN 0.557692 0.810811
11 BMA MAN MAN 0.551724 0.857143
12 GLC GLC GLC GLC GLC 0.548387 0.857143
13 BGC GLC GLC GLC 0.548387 0.857143
14 BGC BGC BGC BGC 0.507692 0.857143
15 GLC GLC GLC 0.484375 0.810811
16 GAL NAG 0.47619 0.638298
17 BMA BMA BMA BMA GLA 0.469697 0.857143
18 MAN MAN MAN MAN MAN MAN MAN 0.465753 0.857143
19 MMA MAN MAN 0.460317 0.810811
20 GLC FRU GLA GLA GLA 0.454545 0.864865
21 EDG AHR 0.454545 0.673913
22 GLC FRU GLA GLA 0.454545 0.864865
23 Z6J 0.45 0.875
24 FUB 0.45 0.875
25 32O 0.45 0.875
26 RIB 0.45 0.875
27 AHR 0.45 0.875
28 BDR 0.45 0.875
29 MAN MAN MAN 0.449275 0.833333
30 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.447761 0.857143
31 FRU GLC GLA 0.439394 0.864865
32 MAN MAN BMA 0.4375 0.810811
33 Z9N GLC 0.433333 0.864865
34 BMA MAN MAN MAN 0.428571 0.789474
35 H1M MAN MAN 0.42029 0.75
36 MAN BMA MAN MAN MAN MAN MAN 0.417722 0.810811
37 BMA MAN MAN MAN MAN 0.405405 0.810811
38 GLC FRU GLA 0.402778 0.864865
39 GLA 0.4 0.764706
40 BGC 0.4 0.764706
41 WOO 0.4 0.764706
42 BGC GAL 0.4 0.764706
43 GIV 0.4 0.764706
44 BMA 0.4 0.764706
45 ALL 0.4 0.764706
46 GLC GLC 0.4 0.764706
47 MAN 0.4 0.764706
48 GLC 0.4 0.764706
49 GAL GAL 0.4 0.764706
50 GXL 0.4 0.764706
51 GAL 0.4 0.764706
Similar Ligands (3D)
Ligand no: 1; Ligand: AHR AHR AHR AHR AHR AHR; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
Feedback