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Receptor
PDB id Resolution Class Description Source Keywords
4G9N 2.2 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE RHIZOCTONIA SOLANI AGGLUTININ IN CO N'-ACETYL-GALACTOSAMINE RHIZOCTONIA SOLANI LECTIN CARBOHYDRATE-BINDING SPECIFICITY SUGAR BINDING PROT
Ref.: STRUCTURAL ANALYSIS OF THE RHIZOCTONIA SOLANI AGGLU REVEALS A DOMAIN-SWAPPING DIMERIC ASSEMBLY. FEBS J. V. 280 1750 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NGA A:202;
A:201;
B:201;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4G9N 2.2 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE RHIZOCTONIA SOLANI AGGLUTININ IN CO N'-ACETYL-GALACTOSAMINE RHIZOCTONIA SOLANI LECTIN CARBOHYDRATE-BINDING SPECIFICITY SUGAR BINDING PROT
Ref.: STRUCTURAL ANALYSIS OF THE RHIZOCTONIA SOLANI AGGLU REVEALS A DOMAIN-SWAPPING DIMERIC ASSEMBLY. FEBS J. V. 280 1750 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 4G9N - 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 1205 families.
1 4G9N - 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 1039 families.
1 4G9N - 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 : 4G9N; Ligand: NGA; Similar sites found with APoc: 160
This union binding pocket(no: 1) in the query (biounit: 4g9n.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 3MEH THP None
2 1TLG GAL None
3 1N07 FMN None
4 1L5Y BEF None
5 4WQQ MAN None
6 4NP3 2L2 None
7 1JZN BGC GAL None
8 5BO9 SIA GAL NGS None
9 3U5S FAD None
10 1OBV FMN None
11 3MBG FAD None
12 4H2D FMN 1.3986
13 5M1T C2E 1.3986
14 4DQ2 BTX 1.3986
15 5LVP ATP 1.3986
16 1GAR U89 2.0979
17 5LPG 71V 2.0979
18 2DW7 SRT 2.0979
19 2AG8 NAP 2.0979
20 2BJK NAD 2.7972
21 4LOO SB4 2.7972
22 4NBI D3Y 2.7972
23 2GZ3 NAP 2.7972
24 4XB2 NDP 2.7972
25 4L77 CNL 2.7972
26 4XB2 HSE 2.7972
27 3R35 4CO 2.7972
28 3N3T C2E 2.7972
29 3Q9N COA 2.83688
30 1UPR 4IP 3.25203
31 3OCZ SRA 3.4965
32 1S4M LUM 3.4965
33 4ONC 40B 3.4965
34 4CNE SAH 3.4965
35 3O0Q ADN 3.4965
36 3O0Q GDP 3.4965
37 3O0Q TTP 3.4965
38 4WTV ATP 3.4965
39 5FP4 YC8 3.4965
40 3AKK ADP 3.4965
41 6A9F 9BF 3.4965
42 5VC5 96M 3.4965
43 1QZR ANP 3.4965
44 3RHJ NAP 3.4965
45 4WP9 ZDA 3.4965
46 2G7C GLA GAL NAG 3.4965
47 2PT9 2MH 3.4965
48 1SL4 MAN MAN MAN MAN 3.4965
49 5FUI APY 3.78788
50 4LXQ FON 4.1958
51 4LXQ TYD 4.1958
52 2GU8 796 4.1958
53 2PTZ PAH 4.1958
54 1OPK P16 4.1958
55 5OYH T99 4.1958
56 4AAW R84 4.1958
57 1O9J NAD 4.1958
58 5K9B FMN 4.1958
59 1MQ0 BRD 4.28571
60 4DPL NAP 4.8951
61 2QV6 GTP 4.8951
62 5ECP MET 4.8951
63 5ECP ATP 4.8951
64 5ECP JAA 4.8951
65 1B1C FMN 4.8951
66 4XTX 590 4.8951
67 3HAZ FAD 4.8951
68 1TSD UMP 4.8951
69 4J7H TLO 4.8951
70 1TLC DGP 4.8951
71 2FCR FMN 4.8951
72 3VOT ADP 4.8951
73 2V1O COA 4.8951
74 4GLW NMN 4.8951
75 4ZAH T5K 4.8951
76 4CIB 7UZ 4.8951
77 5FLJ QUE 4.8951
78 2YIP YIO 5.07246
79 5N9T 8QQ 5.59441
80 4MZQ 1VU 5.59441
81 5JKG 6LF 5.59441
82 4M8E 29V 5.59441
83 3TWD GOB 5.59441
84 2EV9 SKM 5.59441
85 1SL6 GAL NDG FUC 6.29371
86 2AL2 PEP 6.29371
87 2AL2 2PG 6.29371
88 1F28 UMP 6.29371
89 4Z87 GDP 6.29371
90 2PYW ADP 6.29371
91 1HV9 COA 6.29371
92 1EBG PAH 6.29371
93 2IO8 ADP 6.29371
94 1K9J NAG MAN MAN MAN NAG 6.47482
95 4DXD 9PC 6.99301
96 2JAR UMP 6.99301
97 5MF5 C2E 6.99301
98 5TKJ ALA VAL GLY ILE GLY ALA VAL PHE 6.99301
99 1T36 ADP 6.99301
100 4A3R CIT 6.99301
101 6HOY AR6 6.99301
102 4HEQ FMN 6.99301
103 4ZUL UN1 6.99301
104 1TPY 16A 6.99301
105 1RE0 AFB 6.99301
106 2BLN FON 7.69231
107 1WPY BTN 7.69231
108 2DXU BT5 7.69231
109 1CS4 FOK 7.69231
110 1CS4 101 7.69231
111 3RZ3 U94 7.69231
112 2OG7 AHB 7.69231
113 2WOX NDP 7.69231
114 2WME NAP 7.69231
115 6BQC LOP 7.69231
116 3VHE 42Q 8.39161
117 3T1A 5MA 8.39161
118 3VPB ADP 8.39161
119 2BW7 ECS 9.09091
120 5DBV COA 9.09091
121 2BW7 APC 9.09091
122 1HYH NAD 9.09091
123 1XMV ADP 9.09091
124 3IAE D7K 9.09091
125 2P4Y C03 9.79021
126 3FUR Z12 9.79021
127 2HFP NSI 9.79021
128 4HEE 14R 9.79021
129 3G9E RO7 9.79021
130 3PJU C2E 10.4895
131 3PE2 E1B 11.1888
132 2WLG SOP 11.1888
133 4C2C ALA VAL PRO ALA 11.1888
134 1RC0 KT5 11.8881
135 5F90 GLA GAL 11.8881
136 5F90 LMR 11.8881
137 5F90 GLA GAL BGC 5VQ 11.8881
138 1CZR FMN 11.8881
139 4EJN 0R4 11.8881
140 2GJ8 ALF GDP 11.8881
141 3HV8 C2E 12.5874
142 2Z49 AMG 13.986
143 2Z48 NGA 13.986
144 2Z48 A2G 13.986
145 1PDZ PGA 13.986
146 2I8T GDD 13.986
147 2ZQO NGA 14.6154
148 2D24 XYS XYS 15.3846
149 3A23 GAL 15.3846
150 5Y6Q MCN 16.0839
151 4NZ4 NDG 17.4825
152 6A0S HSE 17.4825
153 6A0S NDP 17.4825
154 1KNM LAT 17.6923
155 5MUA GAL 19.5804
156 4ZGR NGA GAL 25.8741
157 2YW2 ATP 25.8741
158 5D63 FUC GAL GLA 27.2727
159 5D63 FUC GLA GLA 27.2727
160 3NBC LAT 44.7552
Pocket No.: 2; Query (leader) PDB : 4G9N; Ligand: NGA; Similar sites found with APoc: 49
This union binding pocket(no: 2) in the query (biounit: 4g9n.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 3NW7 LGV None
2 1G1T SIA GAL MAG FUC None
3 5J6D 6H5 0.699301
4 3PLS ANP 2.0979
5 1S8G DAO 3.30579
6 4RPO T6C 3.4965
7 1PN4 HDC 3.4965
8 3UH0 TSB 4.1958
9 4U9W COA 4.1958
10 6BTP E8J 4.1958
11 4IPH 1FJ 4.87805
12 5ZCT ANP 4.8951
13 5YF9 NIO 4.8951
14 2CYE COA 5.26316
15 5EIN NAP 5.59441
16 1NVM NAD 5.59441
17 4ZOH MCN 5.59441
18 4WB6 ATP 5.59441
19 2IU8 PLM 5.59441
20 3MBI HSX 5.59441
21 1COY FAD 5.59441
22 3WQT ANP 5.59441
23 1VKO NAD 5.59441
24 4LJ3 C2E 6.29371
25 2JLD AG1 6.29371
26 4O33 TZN 6.29371
27 4O33 3PG 6.29371
28 1W2D ADP 6.29371
29 1W2D 4IP 6.29371
30 6HOY TSN 6.99301
31 5ZHW DAL DAL 6.99301
32 1L3I SAH 6.99301
33 3QTP 2PG 6.99301
34 4AG5 ADP 7.69231
35 2OGA PGU 7.69231
36 1SC6 NAD 8.39161
37 6ESN BWE 8.39161
38 1TIW TFB 9.09091
39 1TIW FAD 9.09091
40 4O8A FAD 9.09091
41 3H0A D30 9.79021
42 5GXU FMN 9.79021
43 1YQC GLV 10.4895
44 4E13 NAD 10.4895
45 1ZXM ANP 11.1888
46 2Z9C DTC 13.2867
47 6FA4 D1W 13.2867
48 4ZCW 4NG 14.6853
49 3TCT 3MI 16.5354
Pocket No.: 3; Query (leader) PDB : 4G9N; Ligand: NGA; Similar sites found with APoc: 17
This union binding pocket(no: 3) in the query (biounit: 4g9n.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 5C5H 4YB 3.4965
2 2QHD DAO 4.09836
3 4KYQ FLC 4.8951
4 4URN NOV 6.29371
5 5IDM ANP 6.29371
6 5UAV TFB 7.69231
7 5UAV NDP 7.69231
8 5BSH PRO 7.69231
9 3BZ3 YAM 9.79021
10 3PY5 AMP 10.4895
11 1ZD9 GDP 11.8881
12 4KOA NDP 12.5874
13 1RZ0 FAD 12.5874
14 1RZ1 FAD 12.5874
15 2OHH FMN 16.0839
16 2J6U DGT 19.5804
17 5UAO FAD 20.2797
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