Receptor
PDB id Resolution Class Description Source Keywords
4Z2S 1.7 Å NON-ENZYME: BINDING THE CRYSTAL STRUCTURE OF SCLEROTIUM ROLFSII LECTIN VARIANT 2 COMPLEX WITH N-ACETYL-GLUCOSAMINE ATHELIA ROLFSII LECTIN SUGAR BINDING PROTEIN CARBOHYDRATE- BINDING SPECIFISUGAR BINDING PROTEIN
Ref.: MOLECULAR CLONING, CARBOHYDRATE SPECIFICITY AND THE STRUCTURE OF TWO SCLEROTIUM ROLFSII LECTIN VARIANTS MOLECULES V. 20 10848 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAG B:203;
A:203;
Valid;
Valid;
none;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
NDG A:202;
B:202;
Valid;
Valid;
none;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
TRS A:201;
Invalid;
none;
submit data
122.143 C4 H12 N O3 C(C(C...
MPD B:201;
Invalid;
none;
submit data
118.174 C6 H14 O2 C[C@@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4Z2S 1.7 Å NON-ENZYME: BINDING THE CRYSTAL STRUCTURE OF SCLEROTIUM ROLFSII LECTIN VARIANT 2 COMPLEX WITH N-ACETYL-GLUCOSAMINE ATHELIA ROLFSII LECTIN SUGAR BINDING PROTEIN CARBOHYDRATE- BINDING SPECIFISUGAR BINDING PROTEIN
Ref.: MOLECULAR CLONING, CARBOHYDRATE SPECIFICITY AND THE STRUCTURE OF TWO SCLEROTIUM ROLFSII LECTIN VARIANTS MOLECULES V. 20 10848 2015
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 473 families.
1 4Z2Q - NDG C8 H15 N O6 CC(=O)N[C@....
2 4Z2S - NDG C8 H15 N O6 CC(=O)N[C@....
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 355 families.
1 1Y2U - NAG GAL n/a n/a
2 1Y2X - NGA SER GAL n/a n/a
3 1Y2W - NAG C8 H15 N O6 CC(=O)N[C@....
4 1Y2V - NGA GAL SER n/a n/a
5 4Z2Q - NDG C8 H15 N O6 CC(=O)N[C@....
6 4Z2S - NDG C8 H15 N O6 CC(=O)N[C@....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 272 families.
1 1Y2U - NAG GAL n/a n/a
2 1Y2X - NGA SER GAL n/a n/a
3 1Y2W - NAG C8 H15 N O6 CC(=O)N[C@....
4 1Y2V - NGA GAL SER n/a n/a
5 4Z2Q - NDG C8 H15 N O6 CC(=O)N[C@....
6 4Z2S - NDG C8 H15 N O6 CC(=O)N[C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NAG; Similar ligands found: 109
No: Ligand ECFP6 Tc MDL keys Tc
1 NAG 1 1
2 HSQ 1 1
3 NGA 1 1
4 A2G 1 1
5 NDG 1 1
6 BM3 1 1
7 BGN 0.638298 0.888889
8 SIZ 0.630435 0.906977
9 YX1 0.625 0.65
10 GAL NGA A2G 0.614035 0.816327
11 STZ 0.612245 0.65
12 16G 0.591837 0.735849
13 BMX 0.591837 0.735849
14 4QY 0.591837 0.735849
15 SNG 0.5625 0.866667
16 NGS 0.54902 0.661017
17 NAG GDL 0.54386 0.833333
18 CBS 0.54386 0.833333
19 CBS CBS 0.54386 0.833333
20 NAG NDG 0.54386 0.833333
21 ASG 0.538462 0.661017
22 BG8 0.537037 0.906977
23 2F8 0.530612 0.909091
24 MAG 0.530612 0.909091
25 NLC 0.517857 0.888889
26 GAL NDG 0.517857 0.888889
27 NDG GAL 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 MAN NAG 0.508772 0.888889
32 4UZ 0.508475 0.808511
33 NDG NAG NAG 0.508197 0.816327
34 CTO 0.508197 0.816327
35 NAG NAG NDG 0.508197 0.816327
36 NAG NAG NAG NDG 0.508197 0.816327
37 NAG NAG NAG NAG NAG NAG NAG NAG 0.508197 0.816327
38 NDG NAG NAG NDG 0.508197 0.816327
39 NAG NAG NAG NAG 0.508197 0.816327
40 NAG NAG NAG 0.508197 0.816327
41 NAG NAG NAG NAG NDG NAG 0.508197 0.816327
42 NAG NAG NAG NAG NAG NAG 0.508197 0.816327
43 NDG NAG NAG NDG NAG 0.508197 0.816327
44 NDG NAG NAG NAG 0.508197 0.816327
45 NAG NAG NAG NAG NDG 0.508197 0.816327
46 NAG NAG NAG NAG NAG 0.508197 0.816327
47 NBG 0.5 0.951219
48 MQG 0.5 0.698113
49 A2G GAL 0.491228 0.888889
50 GAL A2G 0.491228 0.888889
51 GAL NGA 0.491228 0.888889
52 AMU 0.490909 0.930233
53 GN1 0.490566 0.754717
54 NG1 0.490566 0.754717
55 NDG NAG 0.47541 0.816327
56 NAG GAL 0.474576 0.888889
57 NGA GAL 0.474576 0.888889
58 NAG FUC 0.474576 0.866667
59 GAL NAG 0.474576 0.888889
60 NAG GAL NAG 0.455882 0.833333
61 FUC NAG 0.45 0.888889
62 3YW 0.448276 0.930233
63 GLA GAL NAG 0.446154 0.888889
64 MAN BMA NAG 0.446154 0.888889
65 NAG GAL GAL 0.446154 0.888889
66 FUL GAL NAG 0.426471 0.869565
67 G6S NAG 0.426471 0.677966
68 DR2 0.426471 0.869565
69 FUC GAL NDG 0.426471 0.869565
70 FUC GAL NAG 0.426471 0.869565
71 NDG GAL FUC 0.426471 0.869565
72 GYU 0.42623 0.740741
73 TNR 0.42623 0.833333
74 NAG BDP 0.421875 0.851064
75 NAG MBG 0.419355 0.851064
76 NGA GAL BGC 0.41791 0.888889
77 NAG NAG 0.415385 0.784314
78 AZC 0.415094 0.795918
79 SN5 SN5 0.412698 0.705882
80 MBG A2G 0.412698 0.851064
81 A2G MBG 0.412698 0.851064
82 HS2 0.411765 0.8125
83 5AX 0.411765 0.866667
84 6ZC 0.409091 0.655738
85 LEC 0.409091 0.655738
86 GAL BGC NAG GAL 0.408451 0.888889
87 TCG 0.408451 0.689655
88 CTO TMX 0.408451 0.689655
89 NAG NAG NAG NAG NAG NAG NAG 0.407895 0.740741
90 BMA 0.404762 0.7
91 WOO 0.404762 0.7
92 ALL 0.404762 0.7
93 GLA 0.404762 0.7
94 MAN 0.404762 0.7
95 GAL 0.404762 0.7
96 GLC 0.404762 0.7
97 GXL 0.404762 0.7
98 GIV 0.404762 0.7
99 BGC 0.404762 0.7
100 NAG AMU 0.402778 0.8
101 NAG MUB 0.402778 0.8
102 A2G GAL FUC 0.4 0.869565
103 DR3 0.4 0.869565
104 NAG GAL FUC 0.4 0.869565
105 FUC GL0 A2G 0.4 0.869565
106 A2G GLA FUC 0.4 0.869565
107 FUC GAL A2G 0.4 0.869565
108 NGA GAL FUC 0.4 0.869565
109 FUC GLA A2G 0.4 0.869565
Ligand no: 2; Ligand: NDG; Similar ligands found: 109
No: Ligand ECFP6 Tc MDL keys Tc
1 NAG 1 1
2 HSQ 1 1
3 NGA 1 1
4 A2G 1 1
5 NDG 1 1
6 BM3 1 1
7 BGN 0.638298 0.888889
8 SIZ 0.630435 0.906977
9 YX1 0.625 0.65
10 GAL NGA A2G 0.614035 0.816327
11 STZ 0.612245 0.65
12 16G 0.591837 0.735849
13 BMX 0.591837 0.735849
14 4QY 0.591837 0.735849
15 SNG 0.5625 0.866667
16 NGS 0.54902 0.661017
17 NAG GDL 0.54386 0.833333
18 CBS 0.54386 0.833333
19 CBS CBS 0.54386 0.833333
20 NAG NDG 0.54386 0.833333
21 ASG 0.538462 0.661017
22 BG8 0.537037 0.906977
23 2F8 0.530612 0.909091
24 MAG 0.530612 0.909091
25 NLC 0.517857 0.888889
26 GAL NDG 0.517857 0.888889
27 NDG GAL 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 MAN NAG 0.508772 0.888889
32 4UZ 0.508475 0.808511
33 NDG NAG NAG 0.508197 0.816327
34 CTO 0.508197 0.816327
35 NAG NAG NDG 0.508197 0.816327
36 NAG NAG NAG NDG 0.508197 0.816327
37 NAG NAG NAG NAG NAG NAG NAG NAG 0.508197 0.816327
38 NDG NAG NAG NDG 0.508197 0.816327
39 NAG NAG NAG NAG 0.508197 0.816327
40 NAG NAG NAG 0.508197 0.816327
41 NAG NAG NAG NAG NDG NAG 0.508197 0.816327
42 NAG NAG NAG NAG NAG NAG 0.508197 0.816327
43 NDG NAG NAG NDG NAG 0.508197 0.816327
44 NDG NAG NAG NAG 0.508197 0.816327
45 NAG NAG NAG NAG NDG 0.508197 0.816327
46 NAG NAG NAG NAG NAG 0.508197 0.816327
47 NBG 0.5 0.951219
48 MQG 0.5 0.698113
49 A2G GAL 0.491228 0.888889
50 GAL A2G 0.491228 0.888889
51 GAL NGA 0.491228 0.888889
52 AMU 0.490909 0.930233
53 GN1 0.490566 0.754717
54 NG1 0.490566 0.754717
55 NDG NAG 0.47541 0.816327
56 NAG GAL 0.474576 0.888889
57 NGA GAL 0.474576 0.888889
58 NAG FUC 0.474576 0.866667
59 GAL NAG 0.474576 0.888889
60 NAG GAL NAG 0.455882 0.833333
61 FUC NAG 0.45 0.888889
62 3YW 0.448276 0.930233
63 GLA GAL NAG 0.446154 0.888889
64 MAN BMA NAG 0.446154 0.888889
65 NAG GAL GAL 0.446154 0.888889
66 FUL GAL NAG 0.426471 0.869565
67 G6S NAG 0.426471 0.677966
68 DR2 0.426471 0.869565
69 FUC GAL NDG 0.426471 0.869565
70 FUC GAL NAG 0.426471 0.869565
71 NDG GAL FUC 0.426471 0.869565
72 GYU 0.42623 0.740741
73 TNR 0.42623 0.833333
74 NAG BDP 0.421875 0.851064
75 NAG MBG 0.419355 0.851064
76 NGA GAL BGC 0.41791 0.888889
77 NAG NAG 0.415385 0.784314
78 AZC 0.415094 0.795918
79 SN5 SN5 0.412698 0.705882
80 MBG A2G 0.412698 0.851064
81 A2G MBG 0.412698 0.851064
82 HS2 0.411765 0.8125
83 5AX 0.411765 0.866667
84 6ZC 0.409091 0.655738
85 LEC 0.409091 0.655738
86 GAL BGC NAG GAL 0.408451 0.888889
87 TCG 0.408451 0.689655
88 CTO TMX 0.408451 0.689655
89 NAG NAG NAG NAG NAG NAG NAG 0.407895 0.740741
90 BMA 0.404762 0.7
91 WOO 0.404762 0.7
92 ALL 0.404762 0.7
93 GLA 0.404762 0.7
94 MAN 0.404762 0.7
95 GAL 0.404762 0.7
96 GLC 0.404762 0.7
97 GXL 0.404762 0.7
98 GIV 0.404762 0.7
99 BGC 0.404762 0.7
100 NAG AMU 0.402778 0.8
101 NAG MUB 0.402778 0.8
102 A2G GAL FUC 0.4 0.869565
103 DR3 0.4 0.869565
104 NAG GAL FUC 0.4 0.869565
105 FUC GL0 A2G 0.4 0.869565
106 A2G GLA FUC 0.4 0.869565
107 FUC GAL A2G 0.4 0.869565
108 NGA GAL FUC 0.4 0.869565
109 FUC GLA A2G 0.4 0.869565
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4Z2S; Ligand: NAG; Similar sites found: 59
This union binding pocket(no: 1) in the query (biounit: 4z2s.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1GAR U89 0.03577 0.40705 None
2 4HMX FMN 0.005289 0.43244 0.704225
3 4HMX WUB 0.009256 0.42487 0.704225
4 2QX0 APC 0.008232 0.42021 1.40845
5 2C43 COA 0.00209 0.46751 2.11268
6 1YKI NFZ 0.0244 0.42501 2.11268
7 1YKI FMN 0.02134 0.42501 2.11268
8 1KQB BEZ 0.01675 0.42007 2.11268
9 1KQB FMN 0.01698 0.4196 2.11268
10 1ICV FMN 0.01621 0.4192 2.11268
11 1ZMD NAI 0.02846 0.41103 2.8169
12 4LOK 1YD 0.003466 0.47459 3.52113
13 1TMM APC 0.0173 0.4241 3.52113
14 1TMM HHR 0.01745 0.42279 3.52113
15 3G6K FAD 0.03602 0.41486 3.52113
16 3G6K POP 0.03978 0.41331 3.52113
17 5DWQ SFG 0.02134 0.41278 3.52113
18 1TLL NAP 0.02802 0.40777 3.52113
19 5DX1 SFG 0.03419 0.40241 3.52113
20 2O3Z AI7 0.04777 0.40214 3.52113
21 1KYZ SAH 0.0275 0.40164 3.52113
22 5DX0 SFG 0.03619 0.40098 3.52113
23 5DX8 SFG 0.03385 0.40068 3.52113
24 1L6O SER LEU LYS LEU MET THR THR VAL 0.03686 0.40446 4.21053
25 2XMY CDK 0.03471 0.42852 4.22535
26 5DEY 59T 0.03457 0.41601 4.22535
27 2C91 NAP 0.04432 0.40789 4.22535
28 2HS3 FGR 0.02279 0.40348 4.22535
29 1YVD GNP 0.03776 0.40066 4.22535
30 4DS0 A2G GAL NAG FUC 0.004569 0.42865 4.92958
31 5ETR APC 0.03584 0.40953 4.92958
32 5ETR 5RW 0.03584 0.40953 4.92958
33 2A9D MTE 0.01213 0.42158 5.6338
34 1RC0 KT5 0.0458 0.40015 6.33803
35 5E9X 5LA 0.01206 0.43208 7.04225
36 5IVE 6E8 0.03062 0.41153 7.04225
37 2I6A 5I5 0.021 0.40667 7.04225
38 3DZ6 M8E 0.01135 0.41737 7.74648
39 2C6Q NDP 0.03117 0.41946 8.4507
40 3VDB 149 0.01735 0.41563 8.4507
41 1ERB ETR 0.02659 0.41205 8.4507
42 4HMT NNV 0.03283 0.40271 8.4507
43 4HMT FMN 0.03111 0.40271 8.4507
44 4MRT COA 0.0009276 0.48987 9.85915
45 1QR0 COA 0.0009223 0.46911 9.85915
46 3CZ7 ACO 0.035 0.40425 9.85915
47 4LX0 BEF GDP 0.01348 0.42528 10.5634
48 5JAQ NAI 0.04024 0.41525 10.5634
49 1XTT U5P 0.02456 0.40039 11.2676
50 2VUT NAD 0.01896 0.41197 11.9718
51 4TWP AXI 0.03087 0.43402 12.6761
52 1OVD FMN 0.03999 0.40687 13.3803
53 1OVD ORO 0.03999 0.40687 13.3803
54 4PW9 MSS 0.02445 0.4077 14.0845
55 2ZAT NAP 0.04576 0.40586 16.1972
56 4CZG QH3 0.03733 0.41167 16.9014
57 2YVJ NAI 0.02567 0.40056 17.4312
58 2HV8 GTP 0.02982 0.40403 21.875
59 4PYW ACE THR THR ALA ILE NH2 0.006626 0.43928 23.9437
Pocket No.: 2; Query (leader) PDB : 4Z2S; Ligand: NDG; Similar sites found: 59
This union binding pocket(no: 2) in the query (biounit: 4z2s.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1GAR U89 0.03577 0.40705 None
2 4HMX FMN 0.005289 0.43244 0.704225
3 4HMX WUB 0.009256 0.42487 0.704225
4 2QX0 APC 0.008232 0.42021 1.40845
5 2C43 COA 0.00209 0.46751 2.11268
6 1YKI NFZ 0.0244 0.42501 2.11268
7 1YKI FMN 0.02134 0.42501 2.11268
8 1KQB BEZ 0.01675 0.42007 2.11268
9 1KQB FMN 0.01698 0.4196 2.11268
10 1ICV FMN 0.01621 0.4192 2.11268
11 1ZMD NAI 0.02846 0.41103 2.8169
12 4LOK 1YD 0.003466 0.47459 3.52113
13 1TMM APC 0.0173 0.4241 3.52113
14 1TMM HHR 0.01745 0.42279 3.52113
15 3G6K FAD 0.03602 0.41486 3.52113
16 3G6K POP 0.03978 0.41331 3.52113
17 5DWQ SFG 0.02134 0.41278 3.52113
18 1TLL NAP 0.02802 0.40777 3.52113
19 5DX1 SFG 0.03419 0.40241 3.52113
20 2O3Z AI7 0.04777 0.40214 3.52113
21 1KYZ SAH 0.0275 0.40164 3.52113
22 5DX0 SFG 0.03619 0.40098 3.52113
23 5DX8 SFG 0.03385 0.40068 3.52113
24 1L6O SER LEU LYS LEU MET THR THR VAL 0.03686 0.40446 4.21053
25 2XMY CDK 0.03471 0.42852 4.22535
26 5DEY 59T 0.03457 0.41601 4.22535
27 2C91 NAP 0.04432 0.40789 4.22535
28 2HS3 FGR 0.02279 0.40348 4.22535
29 1YVD GNP 0.03776 0.40066 4.22535
30 4DS0 A2G GAL NAG FUC 0.004569 0.42865 4.92958
31 5ETR APC 0.03584 0.40953 4.92958
32 5ETR 5RW 0.03584 0.40953 4.92958
33 2A9D MTE 0.01213 0.42158 5.6338
34 1RC0 KT5 0.0458 0.40015 6.33803
35 5E9X 5LA 0.01206 0.43208 7.04225
36 5IVE 6E8 0.03062 0.41153 7.04225
37 2I6A 5I5 0.021 0.40667 7.04225
38 3DZ6 M8E 0.01135 0.41737 7.74648
39 2C6Q NDP 0.03117 0.41946 8.4507
40 3VDB 149 0.01735 0.41563 8.4507
41 1ERB ETR 0.02659 0.41205 8.4507
42 4HMT NNV 0.03283 0.40271 8.4507
43 4HMT FMN 0.03111 0.40271 8.4507
44 4MRT COA 0.0009276 0.48987 9.85915
45 1QR0 COA 0.0009223 0.46911 9.85915
46 3CZ7 ACO 0.035 0.40425 9.85915
47 4LX0 BEF GDP 0.01348 0.42528 10.5634
48 5JAQ NAI 0.04024 0.41525 10.5634
49 1XTT U5P 0.02456 0.40039 11.2676
50 2VUT NAD 0.01896 0.41197 11.9718
51 4TWP AXI 0.03087 0.43402 12.6761
52 1OVD FMN 0.03999 0.40687 13.3803
53 1OVD ORO 0.03999 0.40687 13.3803
54 4PW9 MSS 0.02445 0.4077 14.0845
55 2ZAT NAP 0.04576 0.40586 16.1972
56 4CZG QH3 0.03733 0.41167 16.9014
57 2YVJ NAI 0.02567 0.40056 17.4312
58 2HV8 GTP 0.02982 0.40403 21.875
59 4PYW ACE THR THR ALA ILE NH2 0.006626 0.43928 23.9437
Pocket No.: 3; Query (leader) PDB : 4Z2S; Ligand: NDG; Similar sites found: 18
This union binding pocket(no: 3) in the query (biounit: 4z2s.bio2) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2HQU DUP 0.02783 0.40072 1.40845
2 2BP1 NDP 0.02078 0.42789 4.22535
3 4IXH IMP 0.015 0.41823 4.22535
4 2D7C GTP 0.01923 0.41704 4.22535
5 4OOP DUP 0.0313 0.40213 4.22535
6 5VC5 96M 0.02574 0.40688 4.92958
7 2FT0 ACO 0.02938 0.40112 4.92958
8 1QD1 FON 0.03209 0.40609 6.33803
9 2ZW5 COA 0.01129 0.42258 7.04225
10 2C6Q IMP 0.0195 0.41371 8.4507
11 3ORQ ADP 0.02271 0.40648 9.15493
12 4KVG GTP 0.03592 0.40123 10.5634
13 1SOX MTE 0.005681 0.43947 12.6761
14 1ZC3 GNP 0.02485 0.41305 13.3803
15 1Z0J GTP 0.03366 0.40323 15.2542
16 1I1D COA 0.02716 0.40637 17.6056
17 1I1D 16G 0.04065 0.40495 17.6056
18 3R5J ACE ALA ASP VAL ALA ASA 0.0287 0.40401 19.6429
Pocket No.: 4; Query (leader) PDB : 4Z2S; Ligand: NAG; Similar sites found: 18
This union binding pocket(no: 4) in the query (biounit: 4z2s.bio2) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2HQU DUP 0.02783 0.40072 1.40845
2 2BP1 NDP 0.02078 0.42789 4.22535
3 4IXH IMP 0.015 0.41823 4.22535
4 2D7C GTP 0.01923 0.41704 4.22535
5 4OOP DUP 0.0313 0.40213 4.22535
6 5VC5 96M 0.02574 0.40688 4.92958
7 2FT0 ACO 0.02938 0.40112 4.92958
8 1QD1 FON 0.03209 0.40609 6.33803
9 2ZW5 COA 0.01129 0.42258 7.04225
10 2C6Q IMP 0.0195 0.41371 8.4507
11 3ORQ ADP 0.02271 0.40648 9.15493
12 4KVG GTP 0.03592 0.40123 10.5634
13 1SOX MTE 0.005681 0.43947 12.6761
14 1ZC3 GNP 0.02485 0.41305 13.3803
15 1Z0J GTP 0.03366 0.40323 15.2542
16 1I1D COA 0.02716 0.40637 17.6056
17 1I1D 16G 0.04065 0.40495 17.6056
18 3R5J ACE ALA ASP VAL ALA ASA 0.0287 0.40401 19.6429
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