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 - XYP XYP n/a n/a
2 5L6G - XYS C5 H10 O5 C1[C@H]([C....
3 2AXR - ABL C12 H21 N O10 C([C@@H]1[....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ABL; Similar ligands found: 55
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 5QP 0.47619 0.666667
6 BGC GLA GAL 0.474576 0.702128
7 MGL GAL 0.451613 0.673469
8 MBG GLA 0.45 0.673469
9 9MR 0.446154 0.78
10 RR7 GLC 0.444444 0.708333
11 GAL GLA 0.442623 0.702128
12 MAN BMA BMA 0.441176 0.708333
13 XYS GLC GLC 0.438356 0.723404
14 GLC GLC GLC GLC BGC GLC GLC 0.4375 0.702128
15 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.4375 0.702128
16 FUC GAL 0.4375 0.666667
17 MAN BMA BMA BMA BMA BMA BMA 0.4375 0.702128
18 BGC XGP 0.432836 0.618182
19 MAN IPD MAN 0.430769 0.618182
20 MBG GAL 0.428571 0.673469
21 LM2 0.426667 0.677419
22 GPM GLC 0.426471 0.607143
23 BGC OXZ 0.424242 0.709091
24 GLC EDO GLC 0.424242 0.708333
25 IFM BGC 0.424242 0.75
26 GLC G6P 0.421875 0.618182
27 7D1 MAN 0.421875 0.64
28 AHR FUB 0.421053 0.612245
29 TVD GAL 0.42029 0.811321
30 NAG GAL 0.42029 0.877551
31 NOJ GLC 0.41791 0.803922
32 MAN MNM 0.41791 0.843137
33 NDG GAL 0.414286 0.688525
34 MAN MAN 0.412698 0.666667
35 GCU BGC 0.411765 0.6875
36 IDC 0.410959 0.672131
37 MVL BMA 0.410959 0.672131
38 G2I 0.410959 0.8
39 G3I 0.410959 0.8
40 BGC BGC BGC BGC BGC BGC 0.409091 0.702128
41 GLC BGC BGC BGC 0.409091 0.702128
42 BGC BGC BGC BGC BGC 0.409091 0.702128
43 BGC BGC BGC 0.409091 0.702128
44 FRU BMA 0.409091 0.647059
45 BGC BGC BGC BGC BGC BGC BGC 0.409091 0.702128
46 BGC GAL GLA 0.405797 0.702128
47 GDQ GLC 0.405797 0.773585
48 BGC FUC GAL 0.402778 0.6875
49 GLC BGC FUC GAL 0.402778 0.6875
50 NAG BMA 0.402778 0.862745
51 G2F BGC BGC BGC BGC BGC 0.402778 0.634615
52 G2F SHG BGC BGC 0.4 0.647059
53 BGC 5VQ GAL GLA 0.4 0.647059
54 A2G GAL 0.4 0.877551
55 MGC GAL 0.4 0.843137
Similar Ligands (3D)
Ligand no: 1; Ligand: ABL; Similar ligands found: 68
No: Ligand Similarity coefficient
1 BGC BGC 0.9896
2 GLC BGC 0.9815
3 GLC GLC 0.9809
4 SHG BGC 0.9792
5 BMA BGC 0.9720
6 SGC BGC 0.9693
7 NOY BGC 0.9654
8 BGC GAL 0.9600
9 BGC Z9D 0.9571
10 GCS GCS 0.9557
11 GLC GAL 0.9534
12 MGL SGC 0.9514
13 BMA GAL 0.9422
14 BMA BMA 0.9388
15 PA1 GCS 0.9382
16 MAN BMA 0.9153
17 FRU GAL 0.9137
18 ZT2 0.9132
19 IFM BMA 0.9119
20 ISX 0.9112
21 GAL GC2 0.9074
22 GAL NGT 0.9042
23 NGT GAL 0.9013
24 6EN 0.8989
25 BEM BEM 0.8982
26 SGC GLC 0.8981
27 XYP XYP 0.8966
28 MYG 0.8953
29 BMA IFM 0.8905
30 NAG BDP 0.8856
31 NOK GAL 0.8840
32 47N 0.8829
33 GAL NOK 0.8824
34 LAM 0.8819
35 GLO BGC 0.8815
36 4WS GAL 0.8813
37 BGC GLC 0.8812
38 IXM 0.8799
39 JRO 0.8770
40 NFG 0.8767
41 BMA MVL 0.8765
42 BNY 0.8760
43 CZ0 0.8750
44 BEM LGU 0.8748
45 38E 0.8746
46 CJZ 0.8745
47 NAB 0.8740
48 GWD 0.8736
49 M3W 0.8718
50 XYS XYP 0.8707
51 LOG GAL 0.8700
52 XYS XYS 0.8698
53 NAG GC4 0.8689
54 6BK 0.8686
55 NKH 0.8662
56 272 0.8645
57 DY9 0.8641
58 GAL GAL 0.8631
59 9CE 0.8630
60 AV6 0.8619
61 KN1 0.8607
62 NDG GAD 0.8603
63 NAG GCD 0.8571
64 PNW 0.8562
65 MHB 0.8552
66 GLC GLA 0.8546
67 Q11 0.8531
68 GAL NPO 0.8519
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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