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Receptor
PDB id Resolution Class Description Source Keywords
2ZQO 1.8 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF THE EARTHWORM R-TYPE LECTIN C-HALF IN COMPLEX WITH GALNAC LUMBRICUS TERRESTRIS EARTHWORM LUMBRICUS TERRESTRIS HEMAGGLUTININ R-TYPE LECTIN BETA-TREFOIL FOLD SUGAR COMPLEX LECTIN SUGAR BINDING PROTEIN
Ref.: SUGAR-COMPLEX STRUCTURES OF THE C-HALF DOMAIN OF THE GALACTOSE-BINDING LECTIN EW29 FROM THE EARTHWORM LUMBRICUS TERRESTRIS ACTA CRYSTALLOGR.,SECT.D V. 65 49 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CD A:401;
Invalid;
none;
submit data
112.411 Cd [Cd+2...
IMD A:451;
Invalid;
none;
submit data
69.085 C3 H5 N2 c1c[n...
NGA A:270;
A:271;
B:301;
B:302;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
PO4 A:421;
B:422;
B:423;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
94.971 O4 P [O-]P...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2ZQO 1.8 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF THE EARTHWORM R-TYPE LECTIN C-HALF IN COMPLEX WITH GALNAC LUMBRICUS TERRESTRIS EARTHWORM LUMBRICUS TERRESTRIS HEMAGGLUTININ R-TYPE LECTIN BETA-TREFOIL FOLD SUGAR COMPLEX LECTIN SUGAR BINDING PROTEIN
Ref.: SUGAR-COMPLEX STRUCTURES OF THE C-HALF DOMAIN OF THE GALACTOSE-BINDING LECTIN EW29 FROM THE EARTHWORM LUMBRICUS TERRESTRIS ACTA CRYSTALLOGR.,SECT.D V. 65 49 2009
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 510 families.
1 2ZQN - BGC GAL n/a n/a
2 2DS0 - SIA GAL BGC n/a n/a
3 2DRZ - BGC GAL n/a n/a
4 2ZQO - NGA C8 H15 N O6 CC(=O)N[C@....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 391 families.
1 2ZQN - BGC GAL n/a n/a
2 2DS0 - SIA GAL BGC n/a n/a
3 2DRZ - BGC GAL n/a n/a
4 2ZQO - NGA C8 H15 N O6 CC(=O)N[C@....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 298 families.
1 2ZQN - BGC GAL n/a n/a
2 2DS0 - SIA GAL BGC n/a n/a
3 2DRZ - BGC GAL n/a n/a
4 2ZQO - 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 : 2ZQO; Ligand: NGA; Similar sites found with APoc: 188
This union binding pocket(no: 1) in the query (biounit: 2zqo.bio2) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 1YBU APC None
2 5XG5 A2G None
3 2IMW DDS None
4 2J6U DGT None
5 4UXH T5A None
6 3QDL FMN None
7 4ZVF GAV None
8 3A6T 8OG None
9 2WCV FUC None
10 1TMM HHR None
11 2H1H AFH None
12 1Z4O GL1 1.53846
13 1WD4 AHR 1.53846
14 1YKI NFZ 1.53846
15 1YKI FMN 1.53846
16 3MBG FAD 1.53846
17 2PT9 S4M 1.53846
18 2PT9 2MH 1.53846
19 1ST0 GTG 1.53846
20 1KQB BEZ 1.53846
21 1KQB FMN 1.53846
22 3O55 FAD 1.6
23 4WP9 ZDA 2.30769
24 3S6X SIA GAL BGC 2.30769
25 5TIV A3P 2.30769
26 4C2C ALA VAL PRO ALA 2.30769
27 4BGB ADP 2.30769
28 5OYH T99 3.07692
29 2RCU BUJ 3.07692
30 1W1A NDG 3.07692
31 4F07 FAD 3.07692
32 1VRP ADP 3.07692
33 5DEP UD1 3.07692
34 5KKB BMA NAG MAN MAN MAN MAN MAN MAN MAN 3.07692
35 4NBI D3Y 3.07692
36 3C6K SPD 3.07692
37 3C6K MTA 3.07692
38 1W4R TTP 3.84615
39 1MEX RAC 3.84615
40 4DXD 9PC 3.84615
41 1S4M LUM 3.84615
42 4J6O CIT 3.84615
43 6BC3 SIS 3.84615
44 6BC3 COA 3.84615
45 4NZ4 NDG 3.84615
46 6EQS BV8 3.84615
47 4CLI 5P8 3.84615
48 5J62 FMN 3.84615
49 4H2D FMN 3.84615
50 3PP0 03Q 3.84615
51 1XPJ TLA 3.96825
52 5N9T 8QQ 4.61538
53 4GLW NMN 4.61538
54 1T8U UAP SGN IDS SGN 4.61538
55 2D37 FMN 4.61538
56 2D37 NAD 4.61538
57 1W2D 4IP 4.61538
58 1W2D ADP 4.61538
59 2VJ8 HA2 4.61538
60 6BQ6 TER 4.61538
61 5XDT MB3 4.61538
62 6GW4 CHO 5.38462
63 4MZQ 1VU 5.38462
64 5A89 ADP 5.38462
65 5A89 FMN 5.38462
66 6FRN FMN 5.38462
67 2OHH FMN 5.38462
68 5WGR PM7 5.38462
69 2I8T GDD 5.38462
70 2WLG SOP 5.38462
71 4LOO SB4 5.38462
72 2HJR APR 5.38462
73 2EV9 SKM 5.38462
74 2EV9 NAP 5.38462
75 5AYV NAP 5.38462
76 1N07 FMN 6.15385
77 4LXQ TYD 6.15385
78 4LXQ FON 6.15385
79 2WZV FMN 6.15385
80 4ONC 40B 6.15385
81 4IEN GDP 6.15385
82 4IEN COA 6.15385
83 4BTV RB3 6.15385
84 4WOE ADP 6.15385
85 2FY3 CHT 6.15385
86 3N2S FMN 6.15385
87 2WA4 069 6.15385
88 5HDJ FMN 6.15385
89 4YNM SAM 6.15385
90 2D24 XYS XYS 6.92308
91 1RC0 KT5 6.92308
92 1SYN UMP 6.92308
93 2V1O COA 6.92308
94 1AXW UMP 6.92308
95 5IUW IAC 6.92308
96 5IUW NAD 6.92308
97 1TSD UMP 6.92308
98 1TLC DGP 6.92308
99 4IKR PVP 6.92308
100 1AIQ UMP 6.92308
101 1NCE UMP 6.92308
102 1QK3 5GP 6.92308
103 1F28 UMP 6.92308
104 4QLX FMN 6.92308
105 4D9M 0JO 6.92308
106 1ZPR UMP 6.92308
107 2CYE COA 6.92308
108 2OJW ADP 6.92308
109 3TAY MN0 6.92308
110 4ISK UMP 6.92308
111 3TCT 3MI 7.08661
112 6A9F 9BF 7.69231
113 4MIB 28M 7.69231
114 5H5J FAD 7.69231
115 4DPL NAP 7.69231
116 5ZFJ 9BF 7.69231
117 5A3T MMK 7.69231
118 4LTN NAI 7.69231
119 4LTN FMN 7.69231
120 1EP2 FMN 7.69231
121 1TT8 PHB 7.69231
122 6G9I CXX 7.69231
123 2BW7 ECS 8.46154
124 2BW7 APC 8.46154
125 4B0T ADP 8.46154
126 6C1S EFV 8.46154
127 4TXE 38F 8.46154
128 2DXU BT5 8.46154
129 1MH5 HAL 8.46154
130 2ZXG S23 8.46154
131 1T36 ADP 8.46154
132 4EIL UMP 8.46154
133 5CPS GLC GLC GLC GLC GLC GLC GLC GLC GLC 8.46154
134 2QV6 GTP 9.23077
135 4XBA 5GP 9.23077
136 4XBA GMP 9.23077
137 3MEH THP 9.23077
138 3HAZ FAD 9.23077
139 1V5Y FMN 10
140 5NBW 8SK 10
141 1V5Y 4HC 10
142 2IV2 2MD 10
143 5XQW 8EU 10
144 1CS4 101 10.7692
145 1CS4 FOK 10.7692
146 2WR8 SAH 10.7692
147 3RZ3 U94 10.7692
148 4O1P ANP 10.7692
149 4Z87 GDP 11.5385
150 4AG5 ADP 11.5385
151 1ICV FMN 11.5385
152 2GQR ADP 12.3077
153 6AMI TRP 12.3077
154 6AM8 PLT 12.3077
155 2P4Y C03 13.0769
156 3FUR Z12 13.0769
157 4HEE 14R 13.0769
158 2HFP NSI 13.0769
159 3H0A D30 13.0769
160 2NU8 COA 13.0769
161 4PTZ FMN 13.0769
162 2X2T GAL NGA 13.8462
163 2DW7 SRT 13.8462
164 4G9N NGA 14.6154
165 2BLN FON 14.6154
166 4CRL C1I 14.6154
167 3AJ6 NGA 15.3846
168 4IPH 1FJ 15.4472
169 4AAW R84 16.1538
170 3KDU NKS 17.6923
171 5BVE 4VG 17.6923
172 5MZY 8EZ 17.6923
173 4OWK NGA 18.4615
174 5LRT ADP 19.2308
175 2ISJ FMN 19.2308
176 4LO2 GAL BGC 20
177 1KNM LAT 21.5385
178 1MI3 NAD 21.5385
179 4OUJ LBT 22.3077
180 1T7Q COA 22.3077
181 1T7Q 152 22.3077
182 6EDK 1YA 23.8462
183 3DOO SKM 23.8462
184 4ZGR NGA GAL 25.3846
185 2GQS ADP 26.1538
186 1JQ3 AAT 29.2308
187 5J6C FMN 30
188 3A23 GAL 38.4615
Pocket No.: 2; Query (leader) PDB : 2ZQO; Ligand: NGA; Similar sites found with APoc: 69
This union binding pocket(no: 2) in the query (biounit: 2zqo.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 5RHN 8BR None
2 5WA9 9ZD None
3 5NI5 8YB None
4 3KV8 FAH None
5 4CQK PIO None
6 4K3H 1OM None
7 4INI AMP None
8 3BL7 DD1 1.53846
9 2I7C AAT 1.53846
10 5OCS FMN 1.53846
11 3U5S FAD 1.5873
12 1JA9 NDP 2.30769
13 4CL6 7SB 2.30769
14 2YIP YIO 2.30769
15 6FA4 D1W 2.30769
16 1OQC FAD 2.4
17 4PHR UDP 3.07692
18 1NB9 ADP 3.07692
19 1NB9 RBF 3.07692
20 6ASY ATP 3.07692
21 5K4W THR 3.07692
22 5VEG FMN 3.84615
23 4WZ8 3W7 4.61538
24 1VPM COA 4.61538
25 4HWT 1B2 4.61538
26 2DJH 3PD UM3 5.21739
27 4OJ8 AKG 5.38462
28 4OJ8 2TQ 5.38462
29 3QJ4 FAD 5.38462
30 2FLI DX5 5.38462
31 2O07 MTA 6.15385
32 5BO9 SIA GAL NGS 6.15385
33 5BO9 CSF 6.15385
34 3WXB NDP 6.15385
35 4NV7 COA 6.15385
36 5MW4 5JU 6.15385
37 3T1A 5MA 6.15385
38 2Q1W NAD 6.15385
39 1X7D NAD 6.92308
40 5F2T PLM 7.69231
41 4WNB 4BN 7.69231
42 4FBL SPD 7.69231
43 1IYE PGU 7.69231
44 2QRD ATP 8.24742
45 3N1S 5GP 8.40336
46 1WPY BTN 8.46154
47 4O8A FAD 8.46154
48 1TIW TFB 8.46154
49 1TIW FAD 8.46154
50 3ORF NAD 8.46154
51 5JIC N7E 9.23077
52 5J75 6GQ 9.23077
53 5O2D 9HH 9.23077
54 4XMF HSM 10
55 3WSJ MK1 11.2069
56 3M54 SAH 11.5385
57 1MT6 SAH 11.5385
58 2X24 X24 11.5385
59 4GAH 0ET 12.3077
60 2J8C U10 12.3077
61 2QEN ADP 13.0769
62 1JJE BYS 13.0769
63 5F3I 5UJ 14.6154
64 3UH0 TSB 15.3846
65 3V1U NAD 16.1538
66 4K49 HFQ 17.6923
67 3VHE 42Q 17.6923
68 5JHD GLY ILE LEU GLY PHE VAL PHE THR LEU 20
69 4IV9 FAD 20.7692
Pocket No.: 3; Query (leader) PDB : 2ZQO; Ligand: NGA; Similar sites found with APoc: 23
This union binding pocket(no: 3) in the query (biounit: 2zqo.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 5HPZ 68G None
2 1JUV NDP None
3 2ZX2 RAM None
4 2QIA U20 1.53846
5 4IQY AR6 2.30769
6 4PZ2 NAD 3.07692
7 2Y88 2ER 3.07692
8 4H6Q TFB 3.84615
9 4G1V FAD 4.61538
10 1UM0 FMN 5.38462
11 3KCC CMP 5.38462
12 4S3R 7SA 6.15385
13 2OYS FMN 6.92308
14 2GCG NDP 6.92308
15 5VW2 NAP 7.69231
16 5VW2 FDA 7.69231
17 4R81 FMN 7.69231
18 3KJS NAP 8.46154
19 5CPS GLC GLC GLC GLC GLC GLC GLC GLC 8.46154
20 2IO8 ADP 10.7692
21 2J3M ATP 11.5385
22 2PTZ PAH 11.5385
23 2XCG XCG 13.0769
Pocket No.: 4; Query (leader) PDB : 2ZQO; Ligand: NGA; Similar sites found with APoc: 65
This union binding pocket(no: 4) in the query (biounit: 2zqo.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 2VG1 FPP None
2 3R35 4CO None
3 2FXU ATP 3.07692
4 4B1X ATP 3.07692
5 4B1V ATP 3.07692
6 3QKT ANP 3.07692
7 5EZ7 FAD 3.84615
8 5DOZ NDP 3.84615
9 5VC5 96M 3.84615
10 3T2C 13P 3.84615
11 3GE7 AFQ 4.61538
12 1XHC FAD 4.61538
13 1MR3 G3D 4.61538
14 4C5N ACP 4.61538
15 3N2O AG2 4.61538
16 1PN4 HDC 5.38462
17 4ZRN NAD 5.38462
18 4ZRN UPG 5.38462
19 6HLX G9Z 5.38462
20 4EIP FAD 5.38462
21 4EIP K2C 5.38462
22 1JG3 VAL TYR PRO IAS HIS ALA 5.38462
23 3WBZ ATP 5.38462
24 3CTL S6P 6.15385
25 5EIN NAP 6.15385
26 3C8Z 5CA 6.15385
27 4OB6 S2T 6.15385
28 4I4S LAT 6.92308
29 6GAS FAD 6.92308
30 5JBE GLC GLC GLC GLC GLC 7.69231
31 1GRO ICT 7.69231
32 4M38 SAH 7.69231
33 4M37 SAH 7.69231
34 3HKW IX6 8.46154
35 3FC4 EDO 8.46154
36 3AKK ADP 8.46154
37 3KO8 NAD 9.23077
38 4YMX ARG 9.23077
39 5OC1 FAD 10
40 1WUU ANP 10
41 1SB8 NAD 10.7692
42 1SB8 UD2 10.7692
43 2BES RES 10.7692
44 1KPH 10A 10.7692
45 1RE0 AFB 11.5385
46 5U3F 7TS 12.3077
47 2HGS ADP 12.3077
48 1ON3 MCA 13.0769
49 2IBN I1N 13.0769
50 4FE2 ADP 13.8462
51 1GAR U89 14.6154
52 5D4V SAH 15.3846
53 3LU1 NAD 15.3846
54 4BVA NDP 16.1538
55 4BVA T3 16.1538
56 3KAL ADP 16.1538
57 1QNF FAD 16.1538
58 1OFL ASG GCD 16.9231
59 2PZM NAD 16.9231
60 2PZM UDP 16.9231
61 3LLI FAD 17.6923
62 1ZBQ NAD 18.4615
63 3H0L ADP 19.2308
64 1X92 M7P 20.7692
65 3BXD INS 22.3077
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