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Receptor
PDB id Resolution Class Description Source Keywords
2OFE 1.7 Å NON-ENZYME: BINDING THE CRYSTAL STRUCTURE OF SCLEROTIUM ROLFSII LECTIN IN COMPLE ACETYL-D-GLUCOSAMINE ATHELIA ROLFSII LECTIN DUAL SPECIFICITY SUGAR BINDING PROTEIN
Ref.: STRUCTURAL BASIS FOR THE CARBOHYDRATE RECOGNITION O SCLEROTIUM ROLFSII LECTIN J.MOL.BIOL. V. 368 1145 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACT A:993;
B:994;
B:995;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
59.044 C2 H3 O2 CC(=O...
MPD B:996;
B:997;
B:998;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
118.174 C6 H14 O2 C[C@@...
NAG A:145;
B:145;
Valid;
Valid;
none;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2OFE 1.7 Å NON-ENZYME: BINDING THE CRYSTAL STRUCTURE OF SCLEROTIUM ROLFSII LECTIN IN COMPLE ACETYL-D-GLUCOSAMINE ATHELIA ROLFSII LECTIN DUAL SPECIFICITY SUGAR BINDING PROTEIN
Ref.: STRUCTURAL BASIS FOR THE CARBOHYDRATE RECOGNITION O SCLEROTIUM ROLFSII LECTIN J.MOL.BIOL. V. 368 1145 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 510 families.
1 2OFE - NAG C8 H15 N O6 CC(=O)N[C@....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 391 families.
1 2OFE - NAG C8 H15 N O6 CC(=O)N[C@....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 298 families.
1 2OFE - NAG C8 H15 N O6 CC(=O)N[C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NAG; Similar ligands found: 105
No: Ligand ECFP6 Tc MDL keys Tc
1 NGA 1 1
2 NAG 1 1
3 A2G 1 1
4 BM3 1 1
5 HSQ 1 1
6 NDG 1 1
7 BGN 0.638298 0.888889
8 SIZ 0.630435 0.906977
9 YX1 0.625 0.65
10 STZ 0.612245 0.65
11 4QY 0.591837 0.735849
12 BMX 0.591837 0.735849
13 16G 0.591837 0.735849
14 9C1 0.58 0.886364
15 SNG 0.5625 0.866667
16 NGS 0.54902 0.661017
17 NDG NAG 0.54386 0.833333
18 CBS 0.54386 0.833333
19 NAG GDL 0.54386 0.833333
20 CBS CBS 0.54386 0.833333
21 ASG 0.538462 0.661017
22 BG8 0.537037 0.906977
23 MAG 0.530612 0.909091
24 2F8 0.530612 0.909091
25 NDG GAL 0.517857 0.888889
26 NLC 0.517857 0.888889
27 GAL NDG 0.517857 0.888889
28 NAG A2G 0.517241 0.833333
29 4V5 0.517241 0.829787
30 NAG NGA 0.517241 0.833333
31 4UZ 0.508475 0.808511
32 NAG NAG NAG NAG NDG 0.508197 0.816327
33 NDG NAG NAG NAG 0.508197 0.816327
34 NAG NAG NDG 0.508197 0.816327
35 NAG NAG NDG NAG 0.508197 0.816327
36 CTO 0.508197 0.816327
37 NDG NAG NAG NDG 0.508197 0.816327
38 NAG NAG NAG NDG 0.508197 0.816327
39 NDG NAG NAG 0.508197 0.816327
40 NAG NAG NAG NAG NAG 0.508197 0.816327
41 NAG NAG NAG NAG NAG NAG 0.508197 0.816327
42 NAG NAG NAG NAG NAG NAG NAG NAG 0.508197 0.816327
43 MQG 0.5 0.698113
44 NBG 0.5 0.951219
45 GAL NGA 0.491228 0.888889
46 A2G GAL 0.491228 0.888889
47 GAL A2G 0.491228 0.888889
48 AMU 0.490909 0.930233
49 NG1 0.490566 0.754717
50 GN1 0.490566 0.754717
51 NAG GAL 0.474576 0.888889
52 GAL NAG 0.474576 0.888889
53 NAG FUC 0.474576 0.866667
54 NAG GAL NAG 0.455882 0.833333
55 3YW 0.448276 0.930233
56 GLA GAL NAG 0.446154 0.888889
57 MAN BMA NAG 0.446154 0.888889
58 NGA GAL 0.428571 0.869565
59 FUC GAL NAG 0.426471 0.869565
60 GAL NAG FUC 0.426471 0.869565
61 DR2 0.426471 0.869565
62 NAG GAL FUC 0.426471 0.869565
63 NDG GAL FUC 0.426471 0.869565
64 FUC GAL NDG 0.426471 0.869565
65 FUL GAL NAG 0.426471 0.869565
66 G6S NAG 0.426471 0.645161
67 TNR 0.42623 0.833333
68 GYU 0.42623 0.740741
69 GAL NGA A2G 0.424242 0.833333
70 NAG BDP 0.421875 0.851064
71 NAG MBG 0.419355 0.851064
72 NGA GAL BGC 0.41791 0.888889
73 NAG NDG 0.415385 0.784314
74 NAG NAG 0.415385 0.784314
75 AZC 0.415094 0.795918
76 SN5 SN5 0.412698 0.705882
77 A2G MBG 0.412698 0.851064
78 MBG A2G 0.412698 0.851064
79 HS2 0.411765 0.8125
80 5AX 0.411765 0.866667
81 NAG MAN BMA 0.411765 0.888889
82 6ZC 0.409091 0.655738
83 LEC 0.409091 0.655738
84 TCG 0.408451 0.689655
85 GAL BGC NAG GAL 0.408451 0.888889
86 NAG MAN 0.40625 0.851064
87 WOO 0.404762 0.7
88 MAN 0.404762 0.7
89 GAL 0.404762 0.7
90 BGC 0.404762 0.7
91 BMA 0.404762 0.7
92 GLA 0.404762 0.7
93 ALL 0.404762 0.7
94 GLC 0.404762 0.7
95 GXL 0.404762 0.7
96 GIV 0.404762 0.7
97 NAG AMU 0.402778 0.8
98 NAG MUB 0.402778 0.8
99 NAG A2G GAL 0.402778 0.833333
100 A2G GAL FUC 0.4 0.869565
101 FUC GLA A2G 0.4 0.869565
102 DR3 0.4 0.869565
103 A2G GLA FUC 0.4 0.869565
104 NGA GAL FUC 0.4 0.869565
105 FUC GAL A2G 0.4 0.869565
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2OFE; Ligand: NAG; Similar sites found with APoc: 96
This union binding pocket(no: 1) in the query (biounit: 2ofe.bio2) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 2HMT NAI None
2 2QX0 APC None
3 5AHM IMP None
4 2P4T NAP None
5 4HMX FMN 0.704225
6 4HMX WUB 0.704225
7 2XNJ FAD 1.40845
8 2C43 COA 2.11268
9 1YKI NFZ 2.11268
10 1KQB FMN 2.11268
11 1KQB BEZ 2.11268
12 1YKI FMN 2.11268
13 1ICV FMN 2.11268
14 4U03 TLL 2.8169
15 1TMM APC 3.52113
16 1TMM HHR 3.52113
17 3G6K FAD 3.52113
18 3G6K POP 3.52113
19 5DX0 SFG 3.52113
20 3WR7 COA 3.52113
21 5DWQ SFG 3.52113
22 2O3Z AI7 3.52113
23 1GNI OLA 3.52113
24 1L6O SER LEU LYS LEU MET THR THR VAL 4.21053
25 2RCU BUJ 4.22535
26 1YVD GNP 4.22535
27 1SVM ATP 4.22535
28 4OOP DUP 4.22535
29 4AVB ACO 4.22535
30 2HS3 FGR 4.22535
31 4NRT 2NG 4.22535
32 5VC5 96M 4.22535
33 5WHT SIA GAL GLC 4.34783
34 6DWD HDV 4.92958
35 6DWD GTP 4.92958
36 5ETR 5RW 4.92958
37 5ETR APC 4.92958
38 1TU3 GNP 4.92958
39 2D7C GTP 4.92958
40 2V1O COA 4.92958
41 1KYZ SAH 4.92958
42 2A9D MTE 5.6338
43 4NTD FAD 5.6338
44 4R57 ACO 5.6338
45 2VUT NAD 5.6338
46 6BN0 NAG NAG NAG NAG NAG NAG 6.32911
47 3GDN MXN 6.33803
48 3NRZ FAD 6.33803
49 4G6I RS3 6.33803
50 1PVC ILE SER GLU VAL 6.33803
51 2CDU FAD 6.33803
52 1RC0 KT5 6.33803
53 1FIQ FAD 7.04225
54 4TR9 38D 7.04225
55 2ZW5 COA 7.04225
56 4RHS SIA SIA GAL 7.04225
57 3DZ6 M8E 7.74648
58 4Z87 5GP 7.74648
59 3VDB 149 8.4507
60 3NB0 G6P 8.4507
61 4HMT FMN 8.4507
62 4Z0G 5GP 8.4507
63 4HMT NNV 8.4507
64 2C6Q NDP 8.4507
65 1GUZ NAD 8.4507
66 1T9M FMN 8.4507
67 5KOR GDP 8.4507
68 2C6Q IMP 8.4507
69 3MJH GTP 8.4507
70 4MRT COA 9.85915
71 1QR0 COA 9.85915
72 1ZFJ IMP 9.85915
73 4LX0 BEF GDP 10.5634
74 5OGX FAD 10.5634
75 5JAQ NAI 10.5634
76 1TKE SER 10.5634
77 5XFV FMN 10.5634
78 1PVN MZP 10.5634
79 5JFL NAD 11.2676
80 6C6O ENG 11.9718
81 1SOX MTE 12.6761
82 1ADO 13P 12.6761
83 4C4P GNP 13.0841
84 5WA0 MSS 14.0845
85 3CZ7 ACO 14.0845
86 4PW9 MSS 14.0845
87 2ZFN ACO 14.0845
88 5JCZ GDP 15.493
89 2XMY CDK 15.493
90 2ZAT NAP 16.1972
91 4CZG QH3 16.9014
92 6BMN PAP 17.6056
93 1TLL NAP 18.3099
94 2HV8 GTP 21.875
95 4LO6 SIA GAL 23.2394
96 4PYW ACE THR THR ALA ILE NH2 23.9437
Pocket No.: 2; Query (leader) PDB : 2OFE; Ligand: NAG; 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: 2ofe.bio2) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2OFE; Ligand: NAG; Similar sites found with APoc: 29
This union binding pocket(no: 3) in the query (biounit: 2ofe.bio2) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 5J5R 6G1 2.11268
2 5J5R IMP 2.11268
3 1I1D 16G 2.11268
4 1I1D COA 2.11268
5 4U03 GTP 2.8169
6 4IXH IMP 2.8169
7 3OTI C0T 2.8169
8 3P48 DUP 2.8169
9 3V91 UPG 2.8169
10 2BP1 NDP 4.22535
11 4AF0 IMP 4.22535
12 4DS0 A2G GAL NAG FUC 4.92958
13 2EXX NAP 4.92958
14 1R2Q GNP 4.92958
15 5D9J 0N8 5.6338
16 1QD1 FON 5.6338
17 2OM2 GDP 6.33803
18 4QVB F42 7.04225
19 5Y6Q FAD 7.04225
20 1V97 FAD 7.74648
21 3ORQ ADP 8.4507
22 6AIX A3P 9.15493
23 6EBQ FMN 9.375
24 3A06 NDP 9.85915
25 2YVJ NAI 11.9718
26 4AG8 AXI 11.9718
27 1Z0J GTP 13.5593
28 2BPM 529 15.493
29 3R5J ACE ALA ASP VAL ALA ASA 19.6429
Pocket No.: 4; Query (leader) PDB : 2OFE; Ligand: NAG; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 2ofe.bio2) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 2OFE; Ligand: NAG; Similar sites found with APoc: 4
This union binding pocket(no: 5) in the query (biounit: 2ofe.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 2Q1W NAD 3.52113
2 2C91 NAP 4.22535
3 2BL9 NDP 6.33803
4 5VN0 NAI 14.0845
Pocket No.: 6; Query (leader) PDB : 2OFE; Ligand: NAG; Similar sites found with APoc: 1
This union binding pocket(no: 6) in the query (biounit: 2ofe.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 6GNC FAD 1.40845
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