Receptor
PDB id Resolution Class Description Source Keywords
2AXR 1.98 Å EC: 1.1.3.- CRYSTAL STRUCTURE OF GLUCOOLIGOSACCHARIDE OXIDASE FROM ACREM STRICTUM: A NOVEL FLAVINYLATION OF 6-S-CYSTEINYL, 8ALPHA-N1F AD ACREMONIUM STRICTUM ALPHA+BETA COVALENT FLAVOENZYME OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF GLUCOOLIGOSACCHARIDE OXIDASE F ACREMONIUM STRICTUM: A NOVEL FLAVINYLATION OF 6-S-C 8{ALPHA}-N1-HISTIDYL FAD J.BIOL.CHEM. V. 280 38831 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ABL A:505;
Valid;
none;
submit data
339.296 C12 H21 N O10 C([C@...
FAD A:504;
Invalid;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
NAG A:498;
A:499;
Invalid;
Invalid;
none;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
ZN A:500;
A:501;
A:502;
A:503;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2AXR 1.98 Å EC: 1.1.3.- CRYSTAL STRUCTURE OF GLUCOOLIGOSACCHARIDE OXIDASE FROM ACREM STRICTUM: A NOVEL FLAVINYLATION OF 6-S-CYSTEINYL, 8ALPHA-N1F AD ACREMONIUM STRICTUM ALPHA+BETA COVALENT FLAVOENZYME OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF GLUCOOLIGOSACCHARIDE OXIDASE F ACREMONIUM STRICTUM: A NOVEL FLAVINYLATION OF 6-S-C 8{ALPHA}-N1-HISTIDYL FAD J.BIOL.CHEM. V. 280 38831 2005
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2AXR - ABL C12 H21 N O10 C([C@@H]1[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2AXR - ABL C12 H21 N O10 C([C@@H]1[....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5L6F - BXP C10 H18 O9 C1[C@H]([C....
2 5L6G - XYS C5 H10 O5 C1[C@H]([C....
3 2AXR - ABL C12 H21 N O10 C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ABL; Similar ligands found: 124
No: Ligand ECFP6 Tc MDL keys Tc
1 ABL 1 1
2 LAG 0.58209 0.728814
3 RZM 0.551724 0.8
4 BQZ 0.490909 0.638298
5 TRE 0.490196 0.702128
6 5QP 0.47619 0.666667
7 2M4 0.474576 0.702128
8 LAT GLA 0.474576 0.702128
9 BGC BGC 0.467742 0.6875
10 BMA BMA 0.467742 0.6875
11 CBI 0.466667 0.702128
12 B2G 0.466667 0.702128
13 BGC GAL 0.466667 0.702128
14 LAT 0.466667 0.702128
15 CBK 0.466667 0.702128
16 BMA GAL 0.466667 0.702128
17 LBT 0.466667 0.702128
18 GLA GLA 0.466667 0.702128
19 GAL BGC 0.466667 0.702128
20 GLA GAL 0.466667 0.702128
21 MAB 0.466667 0.702128
22 MAL 0.466667 0.702128
23 N9S 0.466667 0.702128
24 BGC BMA 0.466667 0.702128
25 GLC GAL 0.466667 0.702128
26 DR5 0.451613 0.673469
27 MMA MAN 0.451613 0.673469
28 GLA MBG 0.45 0.673469
29 9MR 0.446154 0.78
30 DOM 0.444444 0.708333
31 MAN GLC 0.442623 0.702128
32 LB2 0.442623 0.702128
33 M3M 0.442623 0.702128
34 NGR 0.442623 0.702128
35 FMO 0.439394 0.634615
36 GLC GLC XYS 0.438356 0.723404
37 BGC BGC GLC 0.4375 0.702128
38 BGC BGC BGC 0.4375 0.702128
39 GLC BGC BGC BGC BGC 0.4375 0.702128
40 MAN BMA BMA 0.4375 0.702128
41 MLR 0.4375 0.702128
42 BGC BGC BGC BGC BGC BGC 0.4375 0.702128
43 U63 0.4375 0.647059
44 MAN BMA BMA BMA BMA BMA 0.4375 0.702128
45 BGC BGC BGC GLC 0.4375 0.702128
46 BGC GLC GLC GLC 0.4375 0.702128
47 GLA GAL BGC 0.4375 0.702128
48 BGC GLC GLC 0.4375 0.702128
49 CEY 0.4375 0.702128
50 BMA MAN BMA 0.4375 0.702128
51 GLC BGC BGC 0.4375 0.702128
52 MT7 0.4375 0.702128
53 CE6 0.4375 0.702128
54 CT3 0.4375 0.702128
55 BGC BGC BGC BGC BGC 0.4375 0.702128
56 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.4375 0.702128
57 GLA GAL GLC 0.4375 0.702128
58 GLC GLC BGC 0.4375 0.702128
59 CTT 0.4375 0.702128
60 BMA BMA BMA BMA BMA BMA 0.4375 0.702128
61 B4G 0.4375 0.702128
62 MAN MAN BMA BMA BMA BMA 0.4375 0.702128
63 GLC BGC BGC BGC 0.4375 0.702128
64 DXI 0.4375 0.702128
65 CTR 0.4375 0.702128
66 GLC GLC GLC GLC GLC 0.4375 0.702128
67 GLC BGC BGC BGC BGC BGC 0.4375 0.702128
68 GLC GAL GAL 0.4375 0.702128
69 GAL FUC 0.4375 0.666667
70 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.4375 0.702128
71 BGC BGC BGC BGC 0.4375 0.702128
72 GAL GAL GAL 0.4375 0.702128
73 GLC BGC GLC 0.4375 0.702128
74 MAN BMA BMA BMA BMA 0.4375 0.702128
75 BGC GLC GLC GLC GLC GLC GLC 0.4375 0.702128
76 BMA BMA BMA BMA BMA 0.4375 0.702128
77 MTT 0.4375 0.702128
78 BMA BMA BMA 0.4375 0.702128
79 CE8 0.4375 0.702128
80 BGC GLC GLC GLC GLC 0.4375 0.702128
81 CE5 0.4375 0.702128
82 CEX 0.4375 0.702128
83 MVP 0.432836 0.614035
84 GLA EGA 0.430769 0.673469
85 M13 0.428571 0.673469
86 MDM 0.428571 0.673469
87 GAL MBG 0.428571 0.673469
88 LM2 0.426667 0.677419
89 BMA BMA MAN 0.424242 0.702128
90 BMA IFM 0.424242 0.75
91 IFM BMA 0.424242 0.75
92 IFM BGC 0.424242 0.75
93 BGC OXZ 0.424242 0.709091
94 MAN MAN BMA 0.424242 0.702128
95 MAL EDO 0.424242 0.708333
96 MAN 7D1 0.421875 0.64
97 8VZ 0.42029 0.811321
98 NDG GAL 0.42029 0.877551
99 NLC 0.42029 0.877551
100 GAL NDG 0.42029 0.877551
101 MAN MNM 0.41791 0.843137
102 NOJ GLC 0.41791 0.803922
103 CGC 0.411765 0.702128
104 G3I 0.410959 0.8
105 BMA MVL 0.410959 0.672131
106 MVL BMA 0.410959 0.672131
107 IDC 0.410959 0.672131
108 GLC GLC XYP 0.410959 0.702128
109 G2I 0.410959 0.8
110 BGC BGC BGC GLC BGC BGC 0.409091 0.702128
111 GLC BGC BGC BGC BGC BGC BGC 0.409091 0.702128
112 FRU GAL 0.409091 0.647059
113 BMA FRU 0.409091 0.647059
114 T6P 0.40625 0.607143
115 GDQ GLC 0.405797 0.773585
116 GLA GAL GAL 0.405797 0.702128
117 G2F BGC BGC BGC BGC BGC 0.402778 0.634615
118 FUC BGC GAL 0.402778 0.6875
119 NAG BMA 0.402778 0.862745
120 GAL NGA 0.4 0.877551
121 A2G GAL 0.4 0.877551
122 GLA GAL BGC 5VQ 0.4 0.647059
123 GAL A2G 0.4 0.877551
124 GAL MGC 0.4 0.843137
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2AXR; Ligand: ABL; 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: 2axr.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
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