Receptor
PDB id Resolution Class Description Source Keywords
2GNB 2.27 Å NON-ENZYME: BINDING EDTA-TREATED (2 WEEKS) P. ANGOLENSIS LECTIN PTEROCARPUS ANGOLENSIS LEGUME LECTIN METAL-FREE LECTINEDTA TREATMENT SUGAR COMPLEX MANNOSE BETA SANDWICH SUGAR BINDING PROTEIN
Ref.: INTERPLAY BETWEEN METAL BINDING AND CIS/TRANS ISOMERIZATION IN LEGUME LECTINS: STRUCTURAL AND THERMODYNAMIC STUDY OF P. ANGOLENSIS LECTIN. J.MOL.BIOL. V. 361 153 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MAN A:300;
Valid;
none;
submit data
180.156 C6 H12 O6 C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2GNB 2.27 Å NON-ENZYME: BINDING EDTA-TREATED (2 WEEKS) P. ANGOLENSIS LECTIN PTEROCARPUS ANGOLENSIS LEGUME LECTIN METAL-FREE LECTINEDTA TREATMENT SUGAR COMPLEX MANNOSE BETA SANDWICH SUGAR BINDING PROTEIN
Ref.: INTERPLAY BETWEEN METAL BINDING AND CIS/TRANS ISOMERIZATION IN LEGUME LECTINS: STRUCTURAL AND THERMODYNAMIC STUDY OF P. ANGOLENSIS LECTIN. J.MOL.BIOL. V. 361 153 2006
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 473 families.
1 2GNB - MAN C6 H12 O6 C([C@@H]1[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 355 families.
1 2GNB - MAN C6 H12 O6 C([C@@H]1[....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 272 families.
1 2GNB - MAN C6 H12 O6 C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MAN; Similar ligands found: 141
No: Ligand ECFP6 Tc MDL keys Tc
1 GAL 1 1
2 BMA 1 1
3 GXL 1 1
4 GLA 1 1
5 ALL 1 1
6 GLC 1 1
7 BGC 1 1
8 GIV 1 1
9 MAN 1 1
10 WOO 1 1
11 32O 0.653846 0.866667
12 RIB 0.653846 0.866667
13 FUB 0.653846 0.866667
14 Z6J 0.653846 0.866667
15 AHR 0.653846 0.866667
16 BMA BMA MAN 0.545455 0.823529
17 GLA BGC 0.511628 0.848485
18 LAK 0.511628 0.848485
19 BGC GLA 0.511628 0.848485
20 GLA BMA 0.511628 0.848485
21 MAN BMA 0.511628 0.848485
22 GLA GLC 0.511628 0.848485
23 GAL GAL 0.511628 0.848485
24 MLB 0.511628 0.848485
25 BMA GLA 0.511628 0.848485
26 BMA BMA BMA BMA BMA BMA MAN 0.5 0.823529
27 YDR 0.5 0.8
28 MAN BMA BMA BMA BMA BMA 0.5 0.823529
29 GLC GLC GLC GLC BGC 0.488889 0.848485
30 GLC GLC GLC 0.488889 0.848485
31 MAN MAN MAN 0.488889 0.848485
32 GLC GLC GLC GLC GLC BGC 0.488889 0.848485
33 BGP 0.461538 0.675
34 G6P 0.461538 0.675
35 M6P 0.461538 0.675
36 A6P 0.461538 0.675
37 M6D 0.461538 0.675
38 BG6 0.461538 0.675
39 SHG 0.457143 0.875
40 GAF 0.457143 0.875
41 G2F 0.457143 0.875
42 X6X 0.457143 0.777778
43 2FG 0.457143 0.875
44 G3F 0.457143 0.875
45 PA1 0.457143 0.777778
46 1GN 0.457143 0.777778
47 GCS 0.457143 0.777778
48 2H5 0.457143 0.875
49 LB2 0.454545 0.848485
50 BGC BMA 0.454545 0.848485
51 BGC GAL 0.454545 0.848485
52 MAL 0.454545 0.848485
53 GLC GAL 0.454545 0.848485
54 M3M 0.454545 0.848485
55 GLA GAL 0.454545 0.848485
56 MAB 0.454545 0.848485
57 GLC BGC 0.454545 0.848485
58 BMA BMA 0.454545 0.848485
59 LBT 0.454545 0.848485
60 MAL MAL 0.454545 0.823529
61 CBK 0.454545 0.848485
62 GLA GLA 0.454545 0.848485
63 MAN GLC 0.454545 0.848485
64 CBI 0.454545 0.848485
65 N9S 0.454545 0.848485
66 GAL GLC 0.454545 0.848485
67 BMA GAL 0.454545 0.848485
68 B2G 0.454545 0.848485
69 BGC GLC 0.454545 0.848485
70 LAT 0.454545 0.848485
71 GAL BGC 0.454545 0.848485
72 3MG 0.444444 0.875
73 TCB 0.444444 0.8
74 GLC SGC 0.444444 0.8
75 YIO 0.441176 0.870968
76 2GS 0.432432 0.875
77 BGC BGC 0.431818 0.848485
78 2M4 0.431818 0.848485
79 MAN MAN 0.431818 0.848485
80 AHR AHR 0.428571 0.764706
81 GLF 0.428571 0.84375
82 FUB AHR 0.428571 0.764706
83 CT3 0.416667 0.848485
84 GLC BGC GLC 0.416667 0.848485
85 MLR 0.416667 0.848485
86 GLC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
87 GLC GLC GLC GLC GLC 0.416667 0.848485
88 GAL FUC 0.416667 0.848485
89 BMA BMA BMA 0.416667 0.848485
90 CTR 0.416667 0.848485
91 BGC GLC GLC 0.416667 0.848485
92 BGC GLC GLC GLC GLC 0.416667 0.848485
93 MAN MAN BMA BMA BMA BMA 0.416667 0.848485
94 GLC GAL GAL 0.416667 0.848485
95 B4G 0.416667 0.848485
96 CEX 0.416667 0.848485
97 MAN BMA BMA BMA BMA 0.416667 0.848485
98 BMA BMA BMA BMA BMA 0.416667 0.848485
99 GLC BGC BGC BGC BGC BGC 0.416667 0.848485
100 CTT 0.416667 0.848485
101 GLC GLC BGC 0.416667 0.848485
102 DXI 0.416667 0.848485
103 GLC GLC BGC GLC GLC GLC GLC 0.416667 0.848485
104 BGC GLC GLC GLC 0.416667 0.848485
105 BGC BGC BGC GLC 0.416667 0.848485
106 BGC BGC BGC BGC BGC BGC 0.416667 0.848485
107 BMA BMA BMA BMA BMA BMA 0.416667 0.848485
108 MTT 0.416667 0.848485
109 BMA MAN BMA 0.416667 0.848485
110 BGC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
111 CE5 0.416667 0.848485
112 GAL GAL GAL 0.416667 0.848485
113 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.416667 0.848485
114 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
115 GLA GAL GLC 0.416667 0.848485
116 CE6 0.416667 0.848485
117 GLC BGC BGC BGC BGC 0.416667 0.848485
118 GLC BGC BGC 0.416667 0.848485
119 MAN BMA BMA 0.416667 0.848485
120 MT7 0.416667 0.848485
121 GLC GLC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
122 CE8 0.416667 0.848485
123 CEY 0.416667 0.848485
124 BGC BGC BGC 0.408163 0.848485
125 BGC BGC BGC BGC BGC 0.408163 0.848485
126 GLC BGC BGC BGC BGC BGC BGC 0.408163 0.848485
127 SGC SGC BGC 0.408163 0.8
128 GLC BGC BGC BGC 0.408163 0.848485
129 BGC BGC BGC ASO BGC BGC ASO 0.408163 0.848485
130 BGC BGC BGC GLC BGC BGC 0.408163 0.848485
131 TRE 0.405405 0.848485
132 1LL 0.405405 0.771429
133 TDG 0.405405 0.771429
134 BM3 0.404762 0.7
135 NDG 0.404762 0.7
136 NAG 0.404762 0.7
137 HSQ 0.404762 0.7
138 A2G 0.404762 0.7
139 NGA 0.404762 0.7
140 FUB AHR AHR 0.4 0.764706
141 AHR AHR AHR 0.4 0.764706
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2GNB; Ligand: MAN; Similar sites found: 110
This union binding pocket(no: 1) in the query (biounit: 2gnb.bio1) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3TA2 AKG 0.02032 0.41222 None
2 3CTY FAD 0.04325 0.41257 1.5674
3 4CNK FAD 0.03189 0.41979 1.98413
4 2GQS C2R 0.01991 0.4033 2.1097
5 3E5H GNP 0.04644 0.41196 2.24719
6 4I42 1HA 0.01739 0.44346 2.38095
7 4CTA ATP 0.01629 0.41896 2.38095
8 5E9W SAH 0.01577 0.41081 2.38095
9 4RGQ NDP 0.02664 0.41062 2.38095
10 3QFU ADP 0.02117 0.40112 2.38095
11 4RGQ 1GP 0.03728 0.40098 2.38095
12 4RSL FAD 0.04806 0.40092 2.38095
13 4RGQ 13P 0.03551 0.40052 2.38095
14 1B57 PGH 0.01946 0.40042 2.38095
15 1V59 FAD 0.04614 0.41063 2.77778
16 3Q9T FAY 0.03812 0.40368 2.77778
17 2AOT SAH 0.01956 0.40269 2.77778
18 2VBU CDP 0.03926 0.40954 2.94118
19 4USQ FAD 0.01849 0.45068 3.1746
20 1I9G SAM 0.003611 0.43581 3.1746
21 4YRY FAD 0.03285 0.42077 3.1746
22 1FL2 FAD 0.01819 0.41038 3.1746
23 2OEM 1AE 0.01685 0.40879 3.1746
24 5A1S FLC 0.008624 0.4018 3.1746
25 5TQZ GLC 0.0000007044 0.61569 3.33333
26 2HMT NAI 0.01828 0.42075 3.47222
27 1DJN ADP 0.01663 0.42575 3.57143
28 1UP7 NAD 0.01595 0.41539 3.57143
29 5LW0 AR6 0.03841 0.40312 3.8961
30 1MO9 KPC 0.004456 0.4859 3.96825
31 1WMA NDP 0.02183 0.42983 3.96825
32 1WMA AB3 0.02183 0.42983 3.96825
33 2B9W FAD 0.0294 0.42089 3.96825
34 1UZN NAP 0.01583 0.41135 3.96825
35 3ZLB ANP 0.01546 0.40908 3.96825
36 1U9Q 186 0.001317 0.4665 4.18605
37 5U8U FAD 0.03727 0.43789 4.36508
38 2CUN 3PG 0.001314 0.43646 4.36508
39 3O26 NDP 0.01827 0.41964 4.36508
40 3KJS NAP 0.03622 0.40489 4.36508
41 3ICS ADP 0.01506 0.40023 4.36508
42 4PIO SAH 0.01188 0.43493 4.7619
43 2VAP GDP 0.01621 0.42226 4.7619
44 1TPY SAH 0.01491 0.41676 4.7619
45 4B9Q ATP 0.01313 0.4167 4.7619
46 4A3U FMN 0.02013 0.40134 4.7619
47 5JJU AMP 0.0306 0.40113 4.7619
48 3ZEI AWH 0.0166 0.41883 4.83871
49 1X7D NAD 0.008205 0.43083 5.15873
50 1X7D ORN 0.01427 0.42421 5.15873
51 3MAX LLX 0.01393 0.4212 5.15873
52 1LYX PGA 0.007976 0.41988 5.15873
53 2RAB FAD 0.01837 0.41785 5.15873
54 2RAB NAD 0.02951 0.41785 5.15873
55 4YNU FAD 0.0315 0.41282 5.15873
56 4YNU LGC 0.03526 0.41282 5.15873
57 1OVD FMN 0.04542 0.40542 5.15873
58 4EU7 CIT 0.04806 0.40263 5.15873
59 4EU7 COA 0.04646 0.40263 5.15873
60 4USR FAD 0.02852 0.41319 5.55556
61 4AZW SAM 0.02554 0.4035 5.55556
62 2JK0 ASP 0.003814 0.41333 6.34921
63 3RIY NAD 0.03161 0.40222 6.34921
64 4ZGR NGA GAL 0.003595 0.41491 6.47773
65 3LL2 MAN MAN MAN MAN MAN MAN MAN MAN 0.000003032 0.59693 6.50407
66 2GUC MAN 0.00000001446 0.66222 6.55738
67 2NU5 NAG 0.00000002046 0.65898 6.55738
68 2GUD MAN 0.00000001986 0.65621 6.55738
69 2HYR BGC GLC 0.00000003886 0.62864 6.55738
70 2NUO BGC 0.0000001165 0.6263 6.55738
71 2GUE NAG 0.0000002393 0.56286 6.55738
72 2GUD BMA 0.0000003312 0.54657 6.55738
73 2HYQ MAN MAN 0.00000183 0.54394 6.55738
74 2PXX SAH 0.01461 0.41483 6.74603
75 4MO2 FDA 0.03852 0.40956 6.74603
76 3VY6 BGC BGC 0.00000007659 0.62121 7.0922
77 4QIJ 1HA 0.03988 0.42643 7.14286
78 4FZV SAM 0.01755 0.41863 7.14286
79 1KPH SAH 0.01672 0.41748 7.14286
80 16PK BIS 0.04859 0.41722 7.14286
81 5KVS NAP 0.02078 0.40473 7.14286
82 3GDN FAD 0.03021 0.41044 7.53968
83 3GDN HBX 0.03785 0.41044 7.53968
84 5TVF CGQ 0.02348 0.40602 7.53968
85 4JBI NDP 0.04851 0.40389 7.53968
86 4C3Y FAD 0.006162 0.45453 7.93651
87 2BLE 5GP 0.01751 0.41716 7.93651
88 3F8D FAD 0.04018 0.41261 7.93651
89 5BW4 SAM 0.01618 0.40618 7.93651
90 4TQG NDP 0.04083 0.40376 8.33333
91 1V1A KDG 0.03154 0.42054 9.12698
92 2E5V FAD 0.03565 0.4093 9.52381
93 2GVC FAD 0.02706 0.40756 9.52381
94 1NV8 SAM 0.006006 0.44575 10.7143
95 1NV8 MEQ 0.005694 0.44575 10.7143
96 5EYP GTP 0.002805 0.45818 11.1111
97 4LNU GTP 0.005723 0.43048 11.1111
98 5EYP GDP 0.02112 0.40071 11.1111
99 2WPF FAD 0.03025 0.43967 11.9048
100 2WPF WPF 0.03069 0.43967 11.9048
101 4R74 F6P 0.01498 0.40154 12.3016
102 4AKB GAL 0.007092 0.41086 12.782
103 1I0S FMN 0.0164 0.41732 13.0178
104 4POO SAM 0.007831 0.42536 13.4921
105 3R51 MMA 0.0003167 0.44493 13.75
106 1BZL FAD 0.03354 0.43372 15.4762
107 2DUR MAN MAN 0.000006763 0.57177 19.8413
108 4ZNO SUC 0.000005502 0.52727 21.0317
109 2F5Z FAD 0.03744 0.40141 25
110 5ITZ GTP 0.0019 0.46265 27.907
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