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: 132
No: Ligand ECFP6 Tc MDL keys Tc
1 ABL 1 1
2 LAG 0.58209 0.728814
3 RZM 0.551724 0.8
4 TRE 0.490196 0.702128
5 5QP 0.47619 0.666667
6 2M4 0.474576 0.702128
7 MAN MAN 0.474576 0.702128
8 LAT GLA 0.474576 0.702128
9 BGC BGC 0.474576 0.702128
10 BMA MAN 0.467742 0.6875
11 BGC GLC 0.466667 0.702128
12 B2G 0.466667 0.702128
13 MAL MAL 0.466667 0.6875
14 GLA GLA 0.466667 0.702128
15 BMA GAL 0.466667 0.702128
16 GAL BGC 0.466667 0.702128
17 BGC GAL 0.466667 0.702128
18 GLC GAL 0.466667 0.702128
19 CBK 0.466667 0.702128
20 MAL 0.466667 0.702128
21 LAT 0.466667 0.702128
22 GAL GLC 0.466667 0.702128
23 GLC BGC 0.466667 0.702128
24 BGC BMA 0.466667 0.702128
25 MAB 0.466667 0.702128
26 N9S 0.466667 0.702128
27 CBI 0.466667 0.702128
28 GLA GAL 0.466667 0.702128
29 BMA BMA 0.466667 0.702128
30 LBT 0.466667 0.702128
31 DR5 0.451613 0.673469
32 MMA MAN 0.451613 0.673469
33 GLA MBG 0.45 0.673469
34 9MR 0.446154 0.78
35 DOM 0.444444 0.708333
36 M3M 0.442623 0.702128
37 LB2 0.442623 0.702128
38 MAN GLC 0.442623 0.702128
39 FMO 0.439394 0.634615
40 GLC GLC XYS 0.438356 0.723404
41 BMA BMA BMA BMA BMA 0.4375 0.702128
42 BMA MAN BMA 0.4375 0.702128
43 BGC GLC GLC GLC GLC GLC GLC 0.4375 0.702128
44 GAL FUC 0.4375 0.666667
45 MAN MAN BMA BMA BMA BMA 0.4375 0.702128
46 GLC GAL GAL 0.4375 0.702128
47 GAL GAL GAL 0.4375 0.702128
48 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.4375 0.702128
49 MT7 0.4375 0.702128
50 CEX 0.4375 0.702128
51 MTT 0.4375 0.702128
52 GLC BGC BGC BGC BGC 0.4375 0.702128
53 GLC GLC GLC GLC GLC GLC GLC 0.4375 0.702128
54 BGC GLC GLC 0.4375 0.702128
55 BGC GLC GLC GLC GLC 0.4375 0.702128
56 B4G 0.4375 0.702128
57 BMA BMA BMA BMA BMA BMA 0.4375 0.702128
58 GLC GLC GLC GLC GLC GLC GLC GLC 0.4375 0.702128
59 GLC BGC BGC 0.4375 0.702128
60 CEY 0.4375 0.702128
61 MAN BMA BMA BMA BMA 0.4375 0.702128
62 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.4375 0.702128
63 U63 0.4375 0.647059
64 GLC BGC GLC 0.4375 0.702128
65 DXI 0.4375 0.702128
66 CE5 0.4375 0.702128
67 GLC BGC BGC BGC BGC BGC 0.4375 0.702128
68 CTR 0.4375 0.702128
69 BMA BMA MAN 0.4375 0.6875
70 MAN BMA BMA 0.4375 0.702128
71 CTT 0.4375 0.702128
72 BGC BGC BGC GLC 0.4375 0.702128
73 CE8 0.4375 0.702128
74 BMA BMA BMA 0.4375 0.702128
75 GLA GAL GLC 0.4375 0.702128
76 GLC GLC GLC GLC GLC 0.4375 0.702128
77 MLR 0.4375 0.702128
78 GLC GLC BGC 0.4375 0.702128
79 BGC BGC BGC BGC BGC BGC 0.4375 0.702128
80 CT3 0.4375 0.702128
81 CE6 0.4375 0.702128
82 GLC GLC BGC GLC GLC GLC GLC 0.4375 0.702128
83 BGC GLC GLC GLC 0.4375 0.702128
84 MVP 0.432836 0.614035
85 NOY BGC 0.430769 0.857143
86 GLA EGA 0.430769 0.673469
87 M13 0.428571 0.673469
88 GAL MBG 0.428571 0.673469
89 MDM 0.428571 0.673469
90 LM2 0.426667 0.677419
91 BGC OXZ 0.424242 0.709091
92 MAN MNM 0.424242 0.857143
93 MAL EDO 0.424242 0.708333
94 MAN MAN BMA 0.424242 0.702128
95 MAN 7D1 0.421875 0.64
96 NDG GAL 0.42029 0.877551
97 8VZ 0.42029 0.811321
98 GAL NDG 0.42029 0.877551
99 NLC 0.42029 0.877551
100 NOJ GLC 0.41791 0.8
101 BGC BGC GLC 0.411765 0.702128
102 CGC 0.411765 0.702128
103 BMA BMA BMA BMA BMA BMA MAN 0.411765 0.6875
104 MAN BMA BMA BMA BMA BMA 0.411765 0.6875
105 IDC 0.410959 0.672131
106 MVL BMA 0.410959 0.672131
107 BMA MVL 0.410959 0.672131
108 GLC GLC XYP 0.410959 0.702128
109 G2I 0.410959 0.8
110 G3I 0.410959 0.8
111 FRU GAL 0.409091 0.647059
112 GLC BGC BGC BGC 0.409091 0.702128
113 BGC BGC BGC GLC BGC BGC 0.409091 0.702128
114 BGC BGC BGC 0.409091 0.702128
115 GLC BGC BGC BGC BGC BGC BGC 0.409091 0.702128
116 BGC BGC BGC BGC BGC 0.409091 0.702128
117 BGC BGC BGC ASO BGC BGC ASO 0.409091 0.702128
118 BMA FRU 0.409091 0.647059
119 T6P 0.40625 0.607143
120 GLA GAL BGC 0.405797 0.702128
121 GLA GAL GAL 0.405797 0.702128
122 IFM BGC 0.402985 0.745098
123 BMA IFM 0.402985 0.745098
124 IFM BMA 0.402985 0.745098
125 G2F BGC BGC BGC BGC BGC 0.402778 0.634615
126 FUC BGC GAL 0.402778 0.6875
127 NAG BMA 0.402778 0.862745
128 A2G GAL 0.4 0.877551
129 GAL MGC 0.4 0.843137
130 GLA GAL BGC 5VQ 0.4 0.647059
131 GAL A2G 0.4 0.877551
132 GAL NGA 0.4 0.877551
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2AXR; Ligand: ABL; Similar sites found: 78
This union binding pocket(no: 1) in the query (biounit: 2axr.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5X7Q GLC GLC GLC GLC GLC 0.001193 0.42287 2.18688
2 5X7Q GLC GLC GLC GLC 0.001599 0.41677 2.18688
3 5A65 TPP 0.03223 0.40073 2.18688
4 4P25 FUC GAL NAG FUC 0.01251 0.41978 2.31788
5 1OLM VTQ 0.02637 0.41045 2.48139
6 3HKW IX6 0.01627 0.44325 2.58449
7 2NPA MMB 0.02701 0.4033 2.96296
8 2AGC DAO 0.005606 0.42586 3.08642
9 1OX5 1PR 0.02701 0.41084 3.24324
10 5F3I 5UJ 0.02826 0.40303 3.33333
11 5ML3 DL3 0.01782 0.42717 3.3557
12 5MEX SZZ 0.04098 0.40657 3.41615
13 4RFR RHN 0.007737 0.42843 3.44828
14 4NJH 2K8 0.02977 0.41324 3.57853
15 2R5V HHH 0.0081 0.42253 3.64146
16 5DG2 GAL GLC 0.001302 0.44506 3.7037
17 1IS3 LAT 0.007568 0.40108 3.7037
18 4O9S 2RY 0.03034 0.4049 3.72093
19 5FLJ QUE 0.01602 0.41013 3.76344
20 1RO7 CSF 0.03444 0.40138 3.861
21 4Y24 TD2 0.0148 0.40621 3.8961
22 4MLO PAM 0.001661 0.45713 3.98551
23 1Y0G 8PP 0.03319 0.42124 4.18848
24 1GP6 SIN 0.02316 0.41175 4.21348
25 4USF 6UI 0.02714 0.4066 4.27632
26 1LNM DTX 0.01298 0.41753 4.34783
27 3QP8 HL0 0.02049 0.40091 4.34783
28 3FW4 CAQ 0.03199 0.40605 4.49438
29 4ZSI 4R1 0.02441 0.40075 4.67836
30 1VC9 ATP 0.009142 0.41813 4.7619
31 2E56 MYR 0.03952 0.40332 4.86111
32 2GDZ NAD 0.04338 0.40043 4.86891
33 3SAO NKN 0.01245 0.41045 5
34 3E85 BSU 0.03841 0.40904 5.06329
35 1VA6 ADP 0.0387 0.41056 5.16899
36 1ZB6 GST 0.0152 0.42397 5.21173
37 2B3B BGC 0.01009 0.41069 5.25
38 2B3B GLC 0.01026 0.40993 5.25
39 3W68 VIV 0.02647 0.40513 5.26316
40 4FHD EEM 0.02565 0.41553 5.36779
41 4FHD 0TT 0.02565 0.41553 5.36779
42 4WVW SLT 0.003871 0.42071 5.55556
43 1QKQ MAN 0.000291 0.40226 5.6338
44 4EIP K2C 0.03233 0.42442 5.64663
45 3HX3 RET 0.01469 0.41082 5.6962
46 4OCT AKG 0.01484 0.40355 5.85586
47 2Z77 HE7 0.01791 0.41691 6.47482
48 3Q8G PEE 0.02222 0.43745 6.56064
49 2RKV ZBA 0.02515 0.42241 6.56064
50 3MTX PGT 0.01608 0.4238 6.62252
51 5GUE GGS 0.02551 0.40625 6.64653
52 2X32 OTP 0.03982 0.41954 6.70391
53 3OYW TDG 0.005959 0.4232 6.71642
54 2YG2 S1P 0.005892 0.44091 6.97674
55 2YG2 FLC 0.007185 0.44091 6.97674
56 4JP3 CIT 0.01829 0.40371 7.11297
57 4V24 GYR 0.01981 0.42205 7.15706
58 3ZO7 K6H 0.0107 0.40812 7.44681
59 1ZT1 PHE GLU ALA ASN GLY ASN LEU ILE 0.02365 0.42054 8
60 2VGD XYP XYP XYP FX3 0.005018 0.43379 8.25688
61 5DQ8 FLF 0.0259 0.40325 8.33333
62 2YMZ LAT 0.001262 0.44433 8.46154
63 2VFT SOR 0.006339 0.42319 9.54274
64 5H9Q TD2 0.002532 0.4385 9.67742
65 1NYW DAU 0.02014 0.40916 10.1523
66 3PFG TLO 0.04059 0.41469 10.6464
67 1AJ0 SAN 0.02333 0.40752 12.5249
68 1AJ0 PH2 0.02128 0.40455 12.5249
69 5LJB RTL 0.01303 0.4195 12.5926
70 1X0P FAD 0.01977 0.40278 13.986
71 2QL9 CIT 0.002662 0.41974 14.433
72 2QO4 CHD 0.01731 0.42571 16.6667
73 2BYC FMN 0.01744 0.40661 16.7883
74 3PQB VGP 0.0002078 0.51227 18.1637
75 1WUB OTP 0.02058 0.42777 18.5393
76 3FW9 SLX 0.0005989 0.48277 40.6061
77 3W8X FAD 0.00252 0.48239 43.8034
78 3W8X FTK 0.0008033 0.46575 43.8034
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