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Receptor
PDB id Resolution Class Description Source Keywords
2FMD 1.9 Å NON-ENZYME: BINDING STRUCTURAL BASIS OF CARBOHYDRATE RECOGNITION BY BOWRINGIA MILBRAEDII SEED AGGLUTININ BOWRINGIA MILDBRAEDII LEGUME LECTIN BETA SANDWICH PROTEIN-CARBOHYDRATE COMPLEX LECTIN SUGAR BINDING PROTEIN
Ref.: STRUCTURAL BASIS OF CARBOHYDRATE RECOGNITION BY A MAN(ALPHA1-2)MAN-SPECIFIC LECTIN FROM BOWRINGIA MILBRAEDII. GLYCOBIOLOGY V. 16 635 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:301;
Part of Protein;
none;
submit data
40.078 Ca [Ca+2...
MAN MAN A:241;
Valid;
none;
submit data
342.297 n/a O(CC1...
MN A:302;
Part of Protein;
none;
submit data
54.938 Mn [Mn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2FMD 1.9 Å NON-ENZYME: BINDING STRUCTURAL BASIS OF CARBOHYDRATE RECOGNITION BY BOWRINGIA MILBRAEDII SEED AGGLUTININ BOWRINGIA MILDBRAEDII LEGUME LECTIN BETA SANDWICH PROTEIN-CARBOHYDRATE COMPLEX LECTIN SUGAR BINDING PROTEIN
Ref.: STRUCTURAL BASIS OF CARBOHYDRATE RECOGNITION BY A MAN(ALPHA1-2)MAN-SPECIFIC LECTIN FROM BOWRINGIA MILBRAEDII. GLYCOBIOLOGY V. 16 635 2006
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 510 families.
1 2FMD - MAN MAN n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 391 families.
1 2FMD - MAN MAN n/a n/a
50% Homology Family (61)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 298 families.
1 5T55 Kd = 0.68 nM NGA GLA GAL BGC n/a n/a
2 5T54 Kd = 0.87 nM A2G GLA FUC n/a n/a
3 5T5J Kd = 0.73 nM ACA SER SER VAL GLY A2G n/a n/a
4 5T52 Kd = 0.54 nM NGA C8 H15 N O6 CC(=O)N[C@....
5 5T5L Kd = 0.73 nM ACE SER SER VAL GLY A2G n/a n/a
6 5T5P Kd = 0.71 nM ACE SER THR VAL GLY A2G n/a n/a
7 1FNZ - A2G C8 H15 N O6 CC(=O)N[C@....
8 1S1A - MAN MMA n/a n/a
9 2ARB Ka = 26000 M^-1 NAG MAN n/a n/a
10 1N3Q - GLC BDF n/a n/a
11 2AR6 Ka = 63000 M^-1 NAG MAN MAN MAN NAG n/a n/a
12 1N3O - GYP C7 H14 O6 CO[C@@H]1[....
13 1N3P - GLC FRU n/a n/a
14 2ARX - MAN MAN n/a n/a
15 2ARE Ka = 1900 M^-1 MAN C6 H12 O6 C([C@@H]1[....
16 1LED - FUC GAL MAG FUC n/a n/a
17 1GSL - FUC GAL MAG FUC n/a n/a
18 1V00 - LAT C12 H22 O11 C([C@@H]1[....
19 3N3H - CIT C6 H8 O7 C(C(=O)O)C....
20 3N36 - GLA C6 H12 O6 C([C@@H]1[....
21 1AX0 Ka = 1340 M^-1 A2G C8 H15 N O6 CC(=O)N[C@....
22 1UZY - GAL BGC n/a n/a
23 1LTE - BGC GAL n/a n/a
24 1AX1 Ka = 1940 M^-1 BGC GAL n/a n/a
25 1AX2 Ka = 9730 M^-1 NDG GAL n/a n/a
26 1GZC Kd = 0.32 mM LAT C12 H22 O11 C([C@@H]1[....
27 3N35 - A2G C8 H15 N O6 CC(=O)N[C@....
28 1AXZ Ka = 1570 M^-1 GAL C6 H12 O6 C([C@@H]1[....
29 1GZ9 Kd = 0.31 mM FUC LAT n/a n/a
30 3ZYR Kd = 4.6 uM ASN NAG NAG BMA MAN MAN NAG NAG n/a n/a
31 3ZVX - MAN MAN MAN n/a n/a
32 5U38 - MDM C13 H24 O11 CO[C@@H]1[....
33 5KXE Kd = 5.45 uM 6Y2 C22 H31 N3 O13 CC(=O)N[C@....
34 5KXB - NGA C8 H15 N O6 CC(=O)N[C@....
35 5KXC - 6Y2 C22 H31 N3 O13 CC(=O)N[C@....
36 5KXD - 6Y2 C22 H31 N3 O13 CC(=O)N[C@....
37 4WV8 - LBT C12 H22 O11 C([C@@H]1[....
38 4U2A - A2G C8 H15 N O6 CC(=O)N[C@....
39 4U36 - TNR C11 H20 N2 O8 CC(=O)N[C@....
40 1JXN - MFU C7 H14 O5 C[C@H]1[C@....
41 3WCS - MAN NAG GAL n/a n/a
42 3WOG - MAN NAG n/a n/a
43 5EYX - MDM C13 H24 O11 CO[C@@H]1[....
44 5EYY - MDM C13 H24 O11 CO[C@@H]1[....
45 2BQP - GLC C6 H12 O6 C([C@@H]1[....
46 5T7P - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
47 2DVA - GAL MGC n/a n/a
48 2DV9 - GAL GAL n/a n/a
49 1V6K - GAL GLC n/a n/a
50 1V6L - GAL BGC n/a n/a
51 2DVD - GAL GAL n/a n/a
52 2TEP - GAL NGA n/a n/a
53 2DVB - GAL C6 H12 O6 C([C@@H]1[....
54 1V6I - GAL GLC n/a n/a
55 2PEL Ki = 1.37 mM LAT C12 H22 O11 C([C@@H]1[....
56 1G9F - GAL NAG GAL NAG GAL n/a n/a
57 2DTW - 2GS C7 H14 O6 CO[C@@H]1[....
58 1WBL - AMG C7 H14 O6 CO[C@@H]1[....
59 2ZMK - GLA EGA n/a n/a
60 2D3S - TNR C11 H20 N2 O8 CC(=O)N[C@....
61 2FMD - MAN MAN n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MAN MAN; Similar ligands found: 178
No: Ligand ECFP6 Tc MDL keys Tc
1 BGC GLA 1 1
2 GAL GLC 1 1
3 GLA BGC 1 1
4 BGC GLC 1 1
5 GLA GLC 1 1
6 LAK 1 1
7 GAL GAL 1 1
8 GLC BGC 1 1
9 MLB 1 1
10 MAN BMA 1 1
11 MAN MAN 1 1
12 BMA GLA 1 1
13 BMA MAN 1 1
14 GLC GLC 1 1
15 GLA BMA 1 1
16 BMA MAN MAN 0.953488 1
17 GLC GLC GLC GLC GLC BGC 0.953488 1
18 MAN MAN MAN 0.953488 1
19 GLC GLC GLC 0.953488 1
20 GLC GLC GLC GLC BGC 0.953488 1
21 AHR AHR 0.75 0.857143
22 FUB AHR 0.75 0.857143
23 MAN MAN MAN MAN 0.732143 1
24 MAN MAN BMA MAN 0.732143 1
25 AHR AHR AHR AHR AHR AHR 0.702128 0.857143
26 FUB AHR AHR 0.702128 0.857143
27 MAN BMA MAN 0.672727 1
28 MAN MMA 0.66 0.942857
29 GLC GLC GLC BGC 0.633333 1
30 M5S 0.606557 1
31 MAN BMA MAN MAN MAN 0.606557 1
32 MAN MAN MAN BMA MAN 0.575758 1
33 BMA BMA GLA BMA BMA 0.546875 1
34 MAN MMA MAN 0.540984 0.942857
35 MAN MAN MAN MAN MAN MAN MAN 0.535211 1
36 RAF 0.515625 0.891892
37 GIV 0.511628 0.848485
38 GLA 0.511628 0.848485
39 WOO 0.511628 0.848485
40 MAN 0.511628 0.848485
41 GAL 0.511628 0.848485
42 GLC 0.511628 0.848485
43 BGC 0.511628 0.848485
44 GXL 0.511628 0.848485
45 BMA 0.511628 0.848485
46 ALL 0.511628 0.848485
47 STW 0.507692 0.891892
48 MAN MAN MAN BMA MAN MAN MAN 0.5 0.942857
49 BMA MAN MAN MAN MAN 0.485294 1
50 NGB 0.485294 0.622642
51 4CQ 0.483871 0.970588
52 WZ2 0.477612 0.868421
53 LBT 0.472727 1
54 N9S 0.472727 1
55 CBI 0.472727 1
56 MAB 0.472727 1
57 LAT 0.472727 1
58 CBK 0.472727 1
59 B2G 0.472727 1
60 BGC BMA 0.472727 1
61 GLC GAL 0.472727 1
62 GLA GLA 0.472727 1
63 BMA GAL 0.472727 1
64 GLA GAL 0.472727 1
65 MAL 0.472727 1
66 GAL BGC 0.472727 1
67 BGC GAL 0.472727 1
68 NAG MAN MAN 0.472222 0.733333
69 RGG 0.471698 0.882353
70 SUC GLA 0.471429 0.891892
71 DMJ MAN 0.466667 0.695652
72 NOJ BGC 0.466667 0.695652
73 WZ3 0.463768 0.916667
74 DEG 0.462963 0.769231
75 IFM MAN 0.459016 0.711111
76 EMZ 0.458333 0.783784
77 M6P 0.45098 0.674419
78 G6P 0.45098 0.674419
79 BG6 0.45098 0.674419
80 M6D 0.45098 0.674419
81 A6P 0.45098 0.674419
82 BGP 0.45098 0.674419
83 AHR AHR AHR 0.45 0.805556
84 EBG 0.446429 0.837838
85 M3M 0.446429 1
86 LB2 0.446429 1
87 NGR 0.446429 1
88 EBQ 0.446429 0.789474
89 MAN GLC 0.446429 1
90 MT7 0.440678 1
91 MAN BMA BMA BMA BMA BMA 0.440678 1
92 DXI 0.440678 1
93 GLC GAL GAL 0.440678 1
94 BGC BGC BGC BGC 0.440678 1
95 GLC BGC BGC BGC BGC BGC 0.440678 1
96 GLC BGC GLC 0.440678 1
97 CEX 0.440678 1
98 GLC BGC BGC BGC BGC 0.440678 1
99 BGC GLC GLC GLC GLC GLC GLC 0.440678 1
100 MLR 0.440678 1
101 BGC BGC BGC BGC BGC 0.440678 1
102 CE5 0.440678 1
103 MAN BMA BMA BMA BMA 0.440678 1
104 BMA BMA BMA BMA BMA 0.440678 1
105 MTT 0.440678 1
106 MAN MAN BMA BMA BMA BMA 0.440678 1
107 GLC GLC GLC GLC GLC 0.440678 1
108 BGC GLC GLC 0.440678 1
109 BMA MAN BMA 0.440678 1
110 BGC GLC GLC GLC 0.440678 1
111 GLA GAL GLC 0.440678 1
112 CT3 0.440678 1
113 BGC BGC BGC 0.440678 1
114 BGC BGC GLC 0.440678 1
115 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.440678 1
116 CTR 0.440678 1
117 CEY 0.440678 1
118 GLC BGC BGC 0.440678 1
119 GLA GAL BGC 0.440678 1
120 BMA BMA BMA BMA BMA BMA 0.440678 1
121 GLC GLC BGC 0.440678 1
122 CTT 0.440678 1
123 BGC BGC BGC BGC BGC BGC 0.440678 1
124 BGC BGC BGC GLC 0.440678 1
125 MAN BMA BMA 0.440678 1
126 B4G 0.440678 1
127 GAL GAL GAL 0.440678 1
128 BGC GLC GLC GLC GLC 0.440678 1
129 CE8 0.440678 1
130 BMA BMA BMA 0.440678 1
131 GLC BGC BGC BGC 0.440678 1
132 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.440678 1
133 CE6 0.440678 1
134 ACY 1GN GAL 1GN BGC ACY GAL BGC 0.439024 0.6875
135 1GN ACY GAL ACY 1GN BGC GAL BGC 0.439024 0.6875
136 JZR 0.438596 0.714286
137 BHG 0.438596 0.714286
138 GLC HEX 0.438596 0.714286
139 TRE 0.4375 1
140 BMA Z4Y NAG 0.435897 0.717391
141 B7G 0.431034 0.738095
142 KGM 0.431034 0.738095
143 2M4 0.428571 1
144 MBG 0.428571 0.857143
145 MMA 0.428571 0.857143
146 GYP 0.428571 0.857143
147 AMG 0.428571 0.857143
148 GAL GAL SO4 0.424242 0.66
149 BOG 0.423729 0.738095
150 BNG 0.423729 0.738095
151 HSJ 0.423729 0.738095
152 M1P 0.423077 0.697674
153 XGP 0.423077 0.697674
154 G1P 0.423077 0.697674
155 GL1 0.423077 0.697674
156 BGC BGC XYS BGC 0.418919 0.942857
157 GAL FUC 0.416667 0.941176
158 SER MAN 0.416667 0.72093
159 XYT 0.415385 0.767442
160 BQZ 0.415094 0.909091
161 6SA 0.414894 0.733333
162 GAL BGC NAG GAL 0.413333 0.733333
163 GAL BGC BGC XYS 0.410959 0.942857
164 BGC BGC BGC GLC BGC BGC 0.409836 1
165 GLC BGC BGC BGC BGC BGC BGC 0.409836 1
166 GLA EGA 0.409836 0.942857
167 DGD 0.409639 0.733333
168 BMA NAG MAN MAN MAN MAN MAN MAN MAN 0.409091 0.733333
169 NAG NAG BMA MAN MAN 0.406977 0.6875
170 T6P 0.40678 0.767442
171 GLA GAL GAL 0.40625 1
172 IAB 0.404494 0.733333
173 MAN MAN BMA 0.403226 1
174 BMA BMA MAN 0.403226 1
175 GLC BGC BGC XYS BGC XYS XYS 0.402597 0.942857
176 BGC BGC BGC XYS BGC XYS XYS 0.402597 0.942857
177 BGC BGC XYS BGC XYS BGC XYS 0.402597 0.942857
178 BMA MAN MAN MAN 0.4 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2FMD; Ligand: MAN MAN; Similar sites found with APoc: 187
This union binding pocket(no: 1) in the query (biounit: 2fmd.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 2ZFZ ARG None
2 4YNU LGC 1.66667
3 6BQ6 TER 1.66667
4 1KPH SAH 1.66667
5 3BW2 FMN 1.89702
6 2Q0L FAD 2.08333
7 4RPL 3UC 2.08333
8 4RPL FAD 2.08333
9 4JBI NDP 2.08333
10 4HXY NDP 2.08333
11 3GXA MET 2.08333
12 6A1G 9OL 2.08333
13 5OVL NAP 2.08333
14 3BF1 ADP 2.08333
15 6GAS FAD 2.5
16 4L3L 5FI 2.5
17 2WKV COA 2.5
18 4I42 1HA 2.5
19 1RO7 CSF 2.5
20 1P7W PRO ALA PRO PHE ALA SER ALA 2.5
21 1JA9 NDP 2.5
22 2Y4O DLL 2.5
23 1I8T FAD 2.5
24 4GKV NAD 2.5
25 2WL5 COA 2.5
26 4XFR CIT 2.5
27 4C5N PXL 2.5
28 4C5N ACP 2.5
29 2WKT COA 2.5
30 3A1C ACP 2.5
31 4A22 TD4 2.5
32 4M7V NAP 2.85714
33 3GF4 FAD 2.91667
34 3GF4 UPG 2.91667
35 4D7E FAD 2.91667
36 2OD9 A1R NCA 2.91667
37 1SZD APR 2.91667
38 2IVF MGD 2.91667
39 5GVH FMN 2.91667
40 1CER NAD 2.91667
41 5GSN FAD 2.91667
42 2JK0 ASP 2.91667
43 3LZW FAD 3.33333
44 1PS9 FAD 3.33333
45 4TQG NDP 3.33333
46 2A2C NG1 3.33333
47 2A2C ADP 3.33333
48 5MQ5 ASP 3.33333
49 4I53 1C1 3.33333
50 5FSY AR6 3.33333
51 1L1E SAH 3.33333
52 2HJR APR 3.33333
53 3HDY FDA 3.75
54 4I4Z 2NE 3.75
55 4WNK 453 3.75
56 1TDF FAD 3.75
57 1NV8 MEQ 3.75
58 1NV8 SAM 3.75
59 2GVC FAD 3.75
60 1I36 NAP 3.75
61 3C56 PH4 3.75
62 3N9R TD3 3.75
63 1WPQ NAD 3.75
64 2GV8 NDP 3.75
65 1VQW FAD 3.75
66 5LD5 NAD 3.75
67 1COY AND 4.16667
68 1COY FAD 4.16667
69 1FL2 FAD 4.16667
70 3QV1 NAD 4.16667
71 5KDS A2G THR ALA PRO GLY GLY NAG SIA 4.16667
72 4YKG FAD 4.16667
73 1UWK NAD 4.16667
74 1UWK URO 4.16667
75 4L9Z OXL 4.16667
76 4L9Z COA 4.16667
77 1GXS DKA 4.16667
78 1N5D NDP 4.16667
79 2QV7 ADP 4.16667
80 1BXG HCI 4.16667
81 1C1D PHE 4.16667
82 3KV8 FAH 4.31655
83 6F97 FAD 4.58333
84 2CXS F6P 4.58333
85 2CNE DFJ 4.58333
86 5NMX FAD 4.58333
87 2O4C NAD 4.58333
88 1JXZ BCA 4.58333
89 3RYC GTP 5
90 5LXT GDP 5
91 5LXT 7AK 5
92 5EYP GTP 5
93 4HKP TKW 5
94 3ZLB ANP 5
95 4AF0 IMP 5
96 1NAA 6FA 5.41667
97 16PK BIS 5.41667
98 4X6I 3Y1 5.5814
99 3VY6 BGC BGC 5.67376
100 1GPM CIT 5.83333
101 4ZKD GDP 5.83333
102 3CB2 GDP 5.83333
103 3ITJ FAD 6.25
104 5J60 FAD 6.25
105 3L4S NAD 6.25
106 2RAB FAD 6.25
107 5J7X FAD 6.25
108 2FLI DX5 6.36364
109 2OQ2 A3P 6.66667
110 2Q7V FAD 6.66667
111 2O2C G6Q 6.66667
112 3NKS FAD 6.66667
113 4AKB GAL 6.76692
114 3AB1 FAD 7.08333
115 6GAR FAD 7.08333
116 1DQX BMP 7.08333
117 4PVR ASP 7.08333
118 5TQZ GLC 7.33333
119 5ZYN FAD 7.91667
120 4CZG ADP 7.91667
121 4CZG QH3 7.91667
122 2IVD FAD 7.91667
123 1E1O LYS 8.33333
124 4P6G 2FZ 8.40708
125 2ZXI FAD 8.75
126 3R51 MMA 8.75
127 4USQ FAD 8.75
128 4QIJ 1HA 8.75
129 3JYN NDP 8.75
130 6H3O FAD 8.75
131 4KYQ FLC 9.13461
132 5YRI GLC GLC 9.15493
133 5YRM BGC GLC 9.15493
134 5YRL GLC GLC 9.15493
135 5YRG BGC GLC 9.15493
136 5YRJ BGC GLC 9.15493
137 5YRF GLC GLC 9.15493
138 2BTO GTP 9.16667
139 2XVF FAD 9.16667
140 1HDG NAD 9.16667
141 2JFN GLU 9.16667
142 2DUR MAN MAN 9.58333
143 3DJF BC3 9.58333
144 4CQM NAP 9.58333
145 5XFH NAG MAN BMA MAN NAG GAL 9.65517
146 4DXD GDP 10
147 6D5H GNP 10
148 6BVL GNP 10
149 6BVI GNP 10
150 6BVM GNP 10
151 6BVK GNP 10
152 6D55 GNP 10
153 6BVJ GNP 10
154 6D5E GNP 10
155 6D5M GNP 10
156 6D5L GNP 10
157 3GDN FAD 10.4167
158 3GDN HBX 10.4167
159 1D4D FAD 10.8333
160 2ZC0 PMP 10.8333
161 1X87 NAD 10.8333
162 4POO SAM 11
163 3LAD FAD 11.6667
164 2ZGY GDP 11.6667
165 4DHY GLC 12.0833
166 3JZ4 NAP 12.5
167 3BY8 MLT 12.6761
168 1QAN SAH 12.9167
169 3U4L ATP 12.9167
170 2CM4 RCL 13.3333
171 4CJX NAP 13.3333
172 5EIB GTP 14.7929
173 4LNU GDP 14.7929
174 4LNU GTP 14.7929
175 3I7S PYR 16.25
176 4I8P NAD 18.75
177 5ITZ GTP 19.685
178 3LL2 MAN MAN MAN MAN MAN MAN MAN MAN 20.3252
179 2NU5 NAG 20.4918
180 2GUC MAN 20.4918
181 2HYR BGC GLC 20.4918
182 2GUD MAN 20.4918
183 2HYQ MAN MAN 20.4918
184 2NUO BGC 20.4918
185 2GUD BMA 20.4918
186 2GUE NAG 20.4918
187 4ZNO SUC 20.8333
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