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Receptor
PDB id Resolution Class Description Source Keywords
2OFD 1.96 Å NON-ENZYME: BINDING THE CRYSTAL STRUCTURE OF SCLEROTIUM ROLFSII LECTIN IN COMPLEX WITH N-ACETYL-D-GALACTOSAMINE ATHELIA ROLFSII LECTIN DUAL SPECIFICITY SUGAR BINDING PROTEIN
Ref.: STRUCTURAL BASIS FOR THE CARBOHYDRATE RECOGNITION OF THE 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:997;
B:995;
B:996;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
59.044 C2 H3 O2 CC(=O...
NGA A:144;
B:144;
B:145;
Valid;
Valid;
Valid;
none;
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
2OFD 1.96 Å NON-ENZYME: BINDING THE CRYSTAL STRUCTURE OF SCLEROTIUM ROLFSII LECTIN IN COMPLEX WITH N-ACETYL-D-GALACTOSAMINE ATHELIA ROLFSII LECTIN DUAL SPECIFICITY SUGAR BINDING PROTEIN
Ref.: STRUCTURAL BASIS FOR THE CARBOHYDRATE RECOGNITION OF THE 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 2OFD - NGA 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 2OFD - NGA 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 2OFD - NGA C8 H15 N O6 CC(=O)N[C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NGA; 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 : 2OFD; Ligand: NGA; Similar sites found with APoc: 110
This union binding pocket(no: 1) in the query (biounit: 2ofd.bio2) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 4C0X FMN None
2 4C0X AQN None
3 1T0I FMN None
4 2OYS FMN None
5 1GAR U89 None
6 4PTZ FMN None
7 4WJT NAG None
8 1NU4 MLA None
9 3CR3 ADP None
10 5TVA AMP None
11 2YBQ UP2 1.40845
12 2YBQ SAH 1.40845
13 6BSW UDP 1.40845
14 6BSW CE6 1.40845
15 4PLT OXM 1.40845
16 4PLT NAI 1.40845
17 5LOG SAH 1.40845
18 6GEW SAH 2.11268
19 6GEW SFG 2.11268
20 5ZZ6 NAD 2.11268
21 1PJS SAH 2.8169
22 2NXE SAM 2.8169
23 5X30 7XF 2.8169
24 5X2Z 3LM 2.8169
25 5X30 4LM 2.8169
26 5HDJ FMN 3.52113
27 5MQW ATP 3.52113
28 5MQW GTP 3.52113
29 3SUD SUE 3.52113
30 3KEE 30B 3.52113
31 6BQK Z1E 3.52113
32 2XCF BBQ 3.52113
33 3N2S FMN 4.22535
34 1BKJ FMN 4.22535
35 1WD4 AHR 4.22535
36 4EIL NDP 4.22535
37 3SSO SAH 4.92958
38 2Z9C FMN 4.92958
39 2Z9C DTC 4.92958
40 1T5B FMN 4.92958
41 3HDY FAD 4.92958
42 3IA4 NDP 4.92958
43 3HDY GDU 4.92958
44 3HDY FDA 4.92958
45 1J3I WRA 4.92958
46 1J3I NDP 4.92958
47 5FLJ QUE 4.92958
48 4LTN NAI 4.92958
49 4LTN FMN 4.92958
50 2A92 NAI 4.92958
51 1E8G FAD 4.92958
52 1E8G FCR 4.92958
53 4N65 FMN 5.6338
54 4N65 AQN 5.6338
55 1ST0 GTG 5.6338
56 2HF9 GSP 5.6338
57 5OCM NAP 5.6338
58 5JBE GLC GLC GLC GLC GLC 5.6338
59 5K0A FAD 5.6338
60 1KNM LAT 6.15385
61 4M7V RAR 6.33803
62 4M7V NAP 6.33803
63 2BII MTV 6.33803
64 1ZPT FAD 6.33803
65 1NRL SRL 6.33803
66 4XFM THE 6.33803
67 2QBU SAH 6.33803
68 5HW4 SAM 6.33803
69 3VYW SAM 6.33803
70 2PWY SAH 6.33803
71 3SVL FMN 7.04225
72 1E5F PLP 7.04225
73 2GUD MAN 7.04225
74 2GUC MAN 7.04225
75 2NUO BGC 7.04225
76 2GUD BMA 7.04225
77 2HYR BGC GLC 7.04225
78 2NU5 NAG 7.04225
79 2PT9 S4M 7.04225
80 2HYQ MAN MAN 7.04225
81 5UFN SAH 7.74648
82 5XHA FRU 7.74648
83 2ZUV NDG 7.74648
84 1QRD FAD 8.4507
85 4NOS ITU 8.4507
86 4JLS 3ZE 8.4507
87 3GF4 FAD 9.15493
88 5N5D SAM 9.15493
89 3BGD SAH 9.15493
90 5LMC FMN 9.15493
91 3BGD PM6 9.15493
92 3B6C SDN 9.15493
93 2Q9U FMN 9.85915
94 5WP5 SAH 9.85915
95 6MJF SAH 9.85915
96 2H7C SIA 9.85915
97 1V9A SAH 10.4603
98 4OGN 2U5 10.4762
99 2W9S NDP 11.2676
100 5KZD RCJ 11.2676
101 1T36 ADP 11.9718
102 4TWP AXI 12.6761
103 1E7S NAP 14.0845
104 1E5D FMN 14.7887
105 3AKI AH8 14.7887
106 5M3Z PLP 15.493
107 5M3Z NLE 15.493
108 5M3Z PY6 15.493
109 3S2Y FMN 15.493
110 5TPR NAD 26.7606
Pocket No.: 2; Query (leader) PDB : 2OFD; Ligand: NGA; 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: 2ofd.bio2) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2OFD; Ligand: NGA; Similar sites found with APoc: 115
This union binding pocket(no: 3) in the query (biounit: 2ofd.bio2) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 5AHM IMP None
2 2QX0 APC None
3 2HMT NAI None
4 3QDL FMN None
5 2D2F ADP None
6 4HMX FMN 0.704225
7 4HMX WUB 0.704225
8 6GNC FAD 1.40845
9 2C43 COA 2.11268
10 5J5R 6G1 2.11268
11 5J5R IMP 2.11268
12 1YKI FMN 2.11268
13 1YKI NFZ 2.11268
14 1KQB BEZ 2.11268
15 1KQB FMN 2.11268
16 1ICV FMN 2.11268
17 4IXH IMP 2.8169
18 4U03 TLL 2.8169
19 4U03 GTP 2.8169
20 3OTI C0T 2.8169
21 3G6K FAD 3.52113
22 3G6K POP 3.52113
23 1TMM HHR 3.52113
24 1TMM APC 3.52113
25 4ZRN NAD 3.52113
26 5DWQ SFG 3.52113
27 5DX0 SFG 3.52113
28 3WR7 COA 3.52113
29 1L6O SER LEU LYS LEU MET THR THR VAL 4.21053
30 4AF0 IMP 4.22535
31 1YVD GNP 4.22535
32 4OOP DUP 4.22535
33 4AVB ACO 4.22535
34 5IVE 6E8 4.22535
35 5VC5 96M 4.22535
36 3S6X SIA GAL BGC 4.22535
37 5WHT SIA GAL GLC 4.34783
38 5WHT SIA GAL 4.34783
39 6DWD HDV 4.92958
40 6DWD GTP 4.92958
41 4DS0 A2G GAL NAG FUC 4.92958
42 5BVA FAD 4.92958
43 2D7C GTP 4.92958
44 1R2Q GNP 4.92958
45 2A9D MTE 5.6338
46 4R57 ACO 5.6338
47 1WLJ U5P 5.6338
48 1QD1 FON 5.6338
49 2VUT NAD 5.6338
50 6BN0 NAG NAG NAG NAG NAG NAG 6.32911
51 3GDN MXN 6.33803
52 3NRZ FAD 6.33803
53 2OM2 GDP 6.33803
54 2CDU FAD 6.33803
55 1PVC ILE SER GLU VAL 6.33803
56 4G6I RS3 6.33803
57 2GWH A3P 6.33803
58 4RHS SIA SIA GAL 7.04225
59 4YRY FAD 7.04225
60 2ZW5 COA 7.04225
61 2CWH NDP 7.04225
62 5JCA FAD 7.04225
63 2I6A 5I5 7.04225
64 4TR9 38D 7.04225
65 4Z87 5GP 7.74648
66 1V97 FAD 7.74648
67 3DZ6 M8E 7.74648
68 4Z0G 5GP 8.4507
69 2C6Q IMP 8.4507
70 3FPZ AHZ 8.4507
71 4HMT NNV 8.4507
72 4HMT FMN 8.4507
73 2C6Q NDP 8.4507
74 3ORQ ADP 8.4507
75 3WG6 NDP 8.4507
76 1T9M FMN 8.4507
77 3NB0 G6P 8.4507
78 3MJH GTP 8.4507
79 1ERB ETR 8.4507
80 3BF1 ADP 8.4507
81 4U9U FAD 8.8968
82 6AIX A3P 9.15493
83 3RAB GNP 9.15493
84 6EBQ FMN 9.375
85 4MRT COA 9.85915
86 1QR0 COA 9.85915
87 1ZFJ IMP 9.85915
88 3QVP FAD 9.85915
89 5OGX FAD 10.5634
90 4LX0 BEF GDP 10.5634
91 1PVN MZP 10.5634
92 5XFV FMN 10.5634
93 6C6O ENG 11.9718
94 1SOX MTE 12.6761
95 4C4P GNP 13.0841
96 1TIW FAD 13.3803
97 1TIW TFB 13.3803
98 1Z0J GTP 13.5593
99 4PW9 MSS 14.0845
100 5IH9 6BF 14.0845
101 5WA0 MSS 14.0845
102 5VN0 NAI 14.0845
103 3CZ7 ACO 14.0845
104 5N81 8Q2 14.7887
105 2XMY CDK 15.493
106 5JCZ GDP 15.493
107 4CZG QH3 16.9014
108 6BMN PAP 17.6056
109 5LEF GTP 17.6056
110 2Y8E GNP 18.3099
111 1TLL NAP 18.3099
112 1BXK NAD 19.7183
113 2HV8 GTP 21.875
114 4LO6 SIA GAL 23.2394
115 4PYW ACE THR THR ALA ILE NH2 23.9437
Pocket No.: 4; Query (leader) PDB : 2OFD; Ligand: NGA; 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: 2ofd.bio2) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 2OFD; Ligand: NGA; Similar sites found with APoc: 27
This union binding pocket(no: 5) in the query (biounit: 2ofd.bio2) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 1N46 PFA 1.40845
2 5T2Y 753 1.40845
3 4OR7 NAP 1.40845
4 2VT3 ATP 2.11268
5 3JZB 4HY 3.52113
6 3L9W FMN 4.22535
7 3SJK LYS PRO VAL LEU ARG THR ALA 4.22535
8 4ONQ SFG 4.22535
9 1F8F NAD 4.92958
10 4UHL VFV 4.92958
11 3WQT ANP 4.92958
12 3QFA FAD 5.17241
13 3WV8 ATP 5.6338
14 2AHR NAP 5.6338
15 1VCE SAH 6.33803
16 4M37 SAH 7.04225
17 1PQ7 ARG 7.04225
18 4M38 SAH 7.04225
19 3JSX CC2 8.4507
20 3JSX FAD 8.4507
21 1V59 FAD 8.4507
22 3CBG SAH 8.4507
23 1XNG ATP 9.85915
24 3IB1 IMN 11.2676
25 2RHQ GAX 11.2676
26 4YVZ 3AT 11.2676
27 4OAS 2SW 16.6667
Pocket No.: 6; Query (leader) PDB : 2OFD; Ligand: NGA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 2ofd.bio2) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 2OFD; Ligand: NGA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 2ofd.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 2OFD; Ligand: NGA; Similar sites found with APoc: 2
This union binding pocket(no: 8) in the query (biounit: 2ofd.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 5JWC FAD 4.22535
2 5JAQ NAI 10.5634
Pocket No.: 9; Query (leader) PDB : 2OFD; Ligand: NGA; Similar sites found with APoc: 3
This union binding pocket(no: 9) in the query (biounit: 2ofd.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 2FLI DX5 1.40845
2 3DUW SAH 4.92958
3 4R81 FMN 7.04225
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