Receptor
PDB id Resolution Class Description Source Keywords
2GNM 1.95 Å NON-ENZYME: BINDING P. ANGOLENSIS LECTIN (PAL) TREATED WITH EDTA FOR 39 HOURS PTEROCARPUS ANGOLENSIS LEGUME LECTIN METAL-FREE LECTIN EDTA TREATMENT PAL SUGAR COMPLEX MANNOSE BETA SANDWICH SUGAR BINDING PROTEI
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
CA A:254;
B:253;
Part of Protein;
Part of Protein;
none;
none;
submit data
40.078 Ca [Ca+2...
MAN A:253;
Valid;
none;
submit data
180.156 C6 H12 O6 C([C@...
MN A:255;
B:254;
Part of Protein;
Part of Protein;
none;
none;
submit data
54.938 Mn [Mn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2GNM 1.95 Å NON-ENZYME: BINDING P. ANGOLENSIS LECTIN (PAL) TREATED WITH EDTA FOR 39 HOURS PTEROCARPUS ANGOLENSIS LEGUME LECTIN METAL-FREE LECTIN EDTA TREATMENT PAL SUGAR COMPLEX MANNOSE BETA SANDWICH SUGAR BINDING PROTEI
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 2GNM - 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 2GNM - 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 2GNM - 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 : 2GNM; Ligand: MAN; Similar sites found: 99
This union binding pocket(no: 1) in the query (biounit: 2gnm.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1KBJ FMN 0.01098 0.42444 1.5873
2 5JCM ISD 0.0387 0.43765 1.98413
3 1TB3 FMN 0.02286 0.40813 1.98413
4 1J0D 5PA 0.02809 0.40786 1.98413
5 3BP1 GUN 0.001795 0.4533 2.38095
6 4I42 1HA 0.02842 0.43508 2.38095
7 4RGQ NDP 0.02542 0.41202 2.38095
8 4CTA ATP 0.02354 0.41115 2.38095
9 4RGQ 13P 0.03237 0.40812 2.38095
10 3QFU ADP 0.01809 0.40721 2.38095
11 4RGQ 1GP 0.03628 0.40691 2.38095
12 2RGO FAD 0.02149 0.43281 2.77778
13 5U23 TQP 0.03117 0.41596 2.77778
14 1V59 FAD 0.03366 0.4125 2.77778
15 5THQ NDP 0.04693 0.40076 2.94118
16 1I9G SAM 0.0004766 0.48636 3.1746
17 4YRY FAD 0.01817 0.43298 3.1746
18 3I7S PYR 0.003441 0.42166 3.1746
19 1FL2 FAD 0.0175 0.42095 3.1746
20 3KRU FMN 0.02566 0.41569 3.1746
21 5A1S FLC 0.007881 0.4125 3.1746
22 5TQZ GLC 0.0000006363 0.60876 3.33333
23 2BRY FAD 0.02556 0.42154 3.57143
24 1SOW NAD 0.02403 0.41472 3.57143
25 4TXI FAD 0.03532 0.41135 3.57143
26 1UP7 NAD 0.0311 0.40288 3.57143
27 3ZLB ANP 0.02966 0.40304 3.96825
28 1RP0 AHZ 0.03903 0.40168 3.96825
29 1U9Q 186 0.003529 0.44497 4.18605
30 2CUN 3PG 0.001379 0.42651 4.36508
31 5FPE 3TR 0.01272 0.41569 4.36508
32 3O26 NDP 0.02545 0.4153 4.36508
33 1FEC FAD 0.02537 0.42676 4.7619
34 4B9Q ATP 0.01244 0.4212 4.7619
35 2PWY SAH 0.01009 0.41462 4.7619
36 4DQ2 BTX 0.02108 0.41406 4.7619
37 4PIO SAH 0.02662 0.41341 4.7619
38 1TPY SAH 0.02068 0.41274 4.7619
39 5KMS FAD 0.03364 0.40912 4.7619
40 3ZEI AWH 0.01951 0.41853 4.83871
41 3BY8 MLT 0.007896 0.40783 4.92958
42 1QO8 FAD 0.003571 0.47673 5.15873
43 5AR0 GB8 0.01493 0.41571 5.15873
44 4EU7 COA 0.03471 0.41452 5.15873
45 3CB2 GDP 0.01113 0.41327 5.15873
46 1LYX PGA 0.01241 0.41181 5.15873
47 5IXJ THR 0.02474 0.41578 5.30303
48 1Q9I TEO 0.003765 0.48704 5.55556
49 1F06 NDP 0.01656 0.43445 5.55556
50 1F06 2NP 0.01656 0.43445 5.55556
51 4USR FAD 0.03605 0.4129 5.55556
52 1ME8 RVP 0.04975 0.40357 5.55556
53 4BV6 FAD 0.02414 0.42749 5.95238
54 1DL5 SAH 0.02553 0.40869 5.95238
55 4JEJ 1GP 0.0109 0.40948 6.14754
56 4YDU ADP 0.01691 0.41695 6.34921
57 2JK0 ASP 0.005786 0.41572 6.34921
58 3WV8 ATP 0.02293 0.40669 6.42202
59 4ZGR NGA GAL 0.004924 0.4147 6.47773
60 3LL2 MAN MAN MAN MAN MAN MAN MAN MAN 0.000007679 0.57804 6.50407
61 2GUC MAN 0.00000001561 0.68469 6.55738
62 2GUD MAN 0.00000002164 0.67344 6.55738
63 2NU5 NAG 0.00000002022 0.66767 6.55738
64 2HYR BGC GLC 0.00000003429 0.64644 6.55738
65 2NUO BGC 0.0000001029 0.6319 6.55738
66 2GUE NAG 0.0000001691 0.57948 6.55738
67 2GUD BMA 0.0000003663 0.52644 6.55738
68 2HYQ MAN MAN 0.000002059 0.52638 6.55738
69 4MO2 FDA 0.03252 0.41535 6.74603
70 1I58 ACP 0.03281 0.40576 6.87831
71 3VY6 BGC BGC 0.0000000507 0.63567 7.0922
72 1KPH SAH 0.02179 0.41023 7.14286
73 3GDN HBX 0.03635 0.42037 7.53968
74 3GDN FAD 0.02879 0.42037 7.53968
75 5TVF CGQ 0.02332 0.40201 7.53968
76 3AD8 FAD 0.01581 0.4494 7.93651
77 3AD8 PYC 0.01581 0.4494 7.93651
78 3F8D FAD 0.04887 0.41465 7.93651
79 5BW4 SAM 0.02052 0.4032 7.93651
80 1NVM NAD 0.04271 0.40047 8.33333
81 1E6E FAD 0.04001 0.41112 8.59375
82 4NS3 NAD 0.01615 0.40912 8.73016
83 4JEM C5P 0.01331 0.41788 8.82353
84 2GVC FAD 0.03055 0.4118 9.52381
85 1NV8 MEQ 0.00944 0.43505 10.7143
86 1NV8 SAM 0.009956 0.43505 10.7143
87 1T26 NAI 0.03479 0.41748 10.7143
88 5E1M SAH 0.02716 0.40534 10.7884
89 5EYP GTP 0.003996 0.44862 11.1111
90 3RYC GDP 0.00704 0.4288 11.1111
91 5EYP GDP 0.02377 0.40331 11.1111
92 2VVM FAD 0.03979 0.4113 11.5079
93 2WPF WPF 0.04472 0.43146 11.9048
94 4AKB GAL 0.007549 0.41276 12.782
95 3R51 MMA 0.0003485 0.45712 13.75
96 2DUR MAN MAN 0.000005554 0.55041 19.8413
97 4ZNO SUC 0.000003965 0.51895 21.0317
98 3DZ6 M8E 0.03193 0.40232 26.8657
99 5ITZ GTP 0.002 0.4673 27.907
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