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Receptor
PDB id Resolution Class Description Source Keywords
2GMM 2.15 Å NON-ENZYME: BINDING METAL-FREE (APO) P. ANGOLENSIS SEED LECTIN IN COMPLEX WITH M ALPHA(1-2)MAN PTEROCARPUS ANGOLENSIS LEGUME LECTIN METAL-FREE LECTIN SUGAR COMPLEX MAN2MAN BESANDWICH SUGAR BINDING PROTEIN
Ref.: INTERPLAY BETWEEN METAL BINDING AND CIS/TRANS ISOME IN LEGUME LECTINS: STRUCTURAL AND THERMODYNAMIC STU 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 MAN A:253;
B:253;
Valid;
Valid;
none;
none;
submit data
342.297 n/a O(CC1...
SO4 A:305;
B:306;
Invalid;
Invalid;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2GMM 2.15 Å NON-ENZYME: BINDING METAL-FREE (APO) P. ANGOLENSIS SEED LECTIN IN COMPLEX WITH M ALPHA(1-2)MAN PTEROCARPUS ANGOLENSIS LEGUME LECTIN METAL-FREE LECTIN SUGAR COMPLEX MAN2MAN BESANDWICH SUGAR BINDING PROTEIN
Ref.: INTERPLAY BETWEEN METAL BINDING AND CIS/TRANS ISOME IN LEGUME LECTINS: STRUCTURAL AND THERMODYNAMIC STU 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 510 families.
1 2GMM - 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 2GMM - MAN MAN n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 298 families.
1 2GMM - 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 : 2GMM; Ligand: MAN MAN; Similar sites found with APoc: 230
This union binding pocket(no: 1) in the query (biounit: 2gmm.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 2IV3 UDP 1.5873
2 1AE1 NAP 1.5873
3 5FFF NAP 1.5873
4 4MRT COA 1.72414
5 4MIG G3F 1.98413
6 1GEX PLP HSA 1.98413
7 1D9I 00P 1.98413
8 3OA2 NAD 1.98413
9 1KNM LAT 2.30769
10 5OVL NAP 2.38095
11 2A8X FAD 2.38095
12 5OVK NDP 2.38095
13 4I42 1HA 2.38095
14 5OBY ANP 2.38095
15 4CTA ATP 2.38095
16 2ED4 FAD 2.38095
17 6H3O FAD 2.38095
18 2QV6 GTP 2.38095
19 5F52 ASP 2.38095
20 4UUW AMP 2.38095
21 4RGQ 1GP 2.38095
22 5AB7 MLC 2.38095
23 1WG8 SAM 2.38095
24 3QFU ADP 2.38095
25 6ASY ATP 2.38095
26 4RGQ NDP 2.38095
27 2BKA NDP 2.47934
28 4RF2 NAP 2.57353
29 5YLT SFG 2.77778
30 6GAR FAD 2.77778
31 2ZYJ PGU 2.77778
32 2OZL TPP 2.77778
33 4GID 0GH 2.77778
34 5XDT MB3 2.77778
35 1B8O IMH 2.77778
36 5O98 NAP 2.77778
37 5OC1 FAD 2.77778
38 4OBW SAM 2.77778
39 2JG1 ANP 2.77778
40 4DCM SAM 2.77778
41 1USF NAP 2.80899
42 1USF FMN 2.80899
43 2CUL FAD 3.01724
44 2ZC0 PMP 3.1746
45 1I9G SAM 3.1746
46 3EXH TPP 3.1746
47 1FL2 FAD 3.1746
48 4CQM NAP 3.1746
49 2UYT LRH 3.1746
50 2UYT ADP 3.1746
51 5AHM IMP 3.1746
52 2WET FAD 3.1746
53 5A1S FLC 3.1746
54 6CEP NAD 3.1746
55 2Z6I FMN 3.1746
56 1ZEM NAD 3.1746
57 5TQZ GLC 3.33333
58 1WPY BTN 3.40426
59 6FA4 GNP 3.46821
60 2IVN ANP 3.57143
61 5BVA FAD 3.57143
62 1NAA 6FA 3.57143
63 1NAA ABL 3.57143
64 5NMX NAP 3.57143
65 3MN5 ATP 3.57143
66 5YPU ATP 3.57143
67 3E1T FAD 3.57143
68 1O94 ADP 3.57143
69 5NMX FAD 3.57143
70 4B1V ATP 3.57143
71 2V51 ATP 3.57143
72 1DJN ADP 3.57143
73 6GAS FAD 3.62538
74 5OOH 9ZZ 3.8835
75 5OOH NAP 3.8835
76 1WMA NDP 3.96825
77 1WMA AB3 3.96825
78 4YKG FAD 3.96825
79 4GKV NAD 3.96825
80 6CI9 NAP 3.96825
81 1A5Z NAD 3.96825
82 2VUT NAD 3.96825
83 5XFH NAG MAN BMA MAN NAG GAL 4.13793
84 1U9Q 186 4.18605
85 2PAV ATP 4.31655
86 2Q0L FAD 4.36508
87 2CUN 3PG 4.36508
88 2R4J FAD 4.36508
89 2R4J 13P 4.36508
90 4MOP 2H5 4.36508
91 3GF4 FAD 4.36508
92 3O26 NDP 4.36508
93 3HDY GDU 4.36508
94 3HDY FDA 4.36508
95 3WOL VAL TYR 4.36508
96 3HDY FAD 4.36508
97 3GF4 UPG 4.36508
98 2GCG NDP 4.36508
99 5FPE 3TR 4.36508
100 2A42 ATP 4.36508
101 3KJS NAP 4.36508
102 1RJ9 GCP 4.36508
103 3H2K BOG 4.53401
104 4B9Q ATP 4.7619
105 1FEC FAD 4.7619
106 4PIO SAH 4.7619
107 5MQ5 ASP 4.7619
108 1VFS DCS 4.7619
109 1TPY SAH 4.7619
110 3DDC GNP 4.81928
111 4P6G 2FZ 4.86726
112 5YRG BGC GLC 4.92958
113 5YRF GLC GLC 4.92958
114 1LYX PGA 5.15873
115 1X7D NAD 5.15873
116 1L1E SAH 5.15873
117 5KVA SAM 5.15873
118 1X7D ORN 5.15873
119 1KY8 NAP 5.15873
120 5MZY 8EZ 5.15873
121 4USR FAD 5.55556
122 4NDO ATP 5.55556
123 1WY7 SAH 5.55556
124 3MN6 ATP 5.61497
125 5ZZA ATP 5.78512
126 4I4Z 2NE 5.95238
127 4BV6 FAD 5.95238
128 2Q28 ADP 5.95238
129 3GD4 FAD 5.95238
130 1KXP ATP 5.95238
131 4IXH IMP 5.95238
132 3X1Z GNP 5.98802
133 5DI9 GNP 6.32911
134 5UWO GNP 6.32911
135 5UWJ GNP 6.32911
136 5DIF GNP 6.32911
137 5UWQ GNP 6.32911
138 5DHF GNP 6.32911
139 5YRI GLC GLC 6.33803
140 5YRL GLC GLC 6.33803
141 5YRM BGC GLC 6.33803
142 5YRJ BGC GLC 6.33803
143 2WLT ASP 6.34921
144 3RIY NAD 6.34921
145 2JK0 ASP 6.34921
146 4FN4 NAD 6.34921
147 3LL2 MAN MAN MAN MAN MAN MAN MAN MAN 6.50407
148 2GUC MAN 6.55738
149 2NU5 NAG 6.55738
150 2GUD MAN 6.55738
151 2HYR BGC GLC 6.55738
152 2HYQ MAN MAN 6.55738
153 2NUO BGC 6.55738
154 2GUD BMA 6.55738
155 2GUE NAG 6.55738
156 2ZXI FAD 6.74603
157 1N5D NDP 6.74603
158 5J5R 6G1 6.74603
159 5J5R IMP 6.74603
160 3QT6 2P0 6.74603
161 2BTO GTP 6.74603
162 3VY6 BGC BGC 7.0922
163 4QIJ 1HA 7.14286
164 3WXB NDP 7.14286
165 5KVS NAP 7.14286
166 5KVS 6XR 7.14286
167 1KPH SAH 7.14286
168 1KPG SAH 7.14286
169 4PKG ATP 7.52688
170 2WOX NDP 7.53968
171 1LVW TYD 7.53968
172 2C91 NAP 7.53968
173 2WME NAP 7.53968
174 5WDR GNP 7.53968
175 2Q7V FAD 7.93651
176 3F8D FAD 7.93651
177 2YVJ FAD 8.25688
178 2YVJ NAI 8.25688
179 6FP4 FAD 8.33333
180 3U4L ATP 8.57143
181 4CBX ATP 8.66142
182 3HGM ATP 8.84354
183 1E5D FMN 9.12698
184 2BP1 NDP 9.12698
185 2X6T NAP 9.12698
186 6D55 GNP 9.92064
187 6D59 GNP 9.92064
188 6D5J GNP 9.92064
189 6D56 GNP 9.92064
190 6D5L GNP 9.92064
191 6D5G GNP 9.92064
192 6D5V GNP 9.92064
193 6D5H GNP 9.92064
194 6BVL GNP 9.92064
195 6D5E GNP 9.92064
196 6BVI GNP 9.92064
197 6BVK GNP 9.92064
198 6BVJ GNP 9.92064
199 6BVM GNP 9.92064
200 1NVV GNP 9.92064
201 6D5M GNP 9.92064
202 2Q97 ATP 10.0775
203 1NV8 SAM 10.7143
204 1NV8 MEQ 10.7143
205 5ZZB ATP 11.0294
206 5EYP GTP 11.1111
207 5LXT GTP 11.1111
208 4LNU GTP 11.1111
209 3RYC GTP 11.1111
210 2WPF FAD 11.9048
211 4PL8 ATP 12.3288
212 4AKB GAL 12.782
213 1I0S NAP 13.0178
214 4POO SAM 13.4921
215 3R51 MMA 13.75
216 4D7E FAD 14.2857
217 1BZL FAD 15.4762
218 4Z87 GDP 15.4762
219 1COY AND 15.873
220 1COY FAD 15.873
221 3SJH LAR 16.6667
222 3SJH ATP 16.6667
223 2DUR MAN MAN 19.8413
224 5UWU GNP 20
225 5VN0 FAD 20.2381
226 4ZNO SUC 21.0317
227 2F5Z FAD 25
228 2A40 ATP 25
229 5ITZ GTP 27.907
230 5EIB GTP 30.4348
Pocket No.: 2; Query (leader) PDB : 2GMM; Ligand: MAN MAN; Similar sites found with APoc: 84
This union binding pocket(no: 2) in the query (biounit: 2gmm.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 2J9C ATP None
2 1GEG NAD 0.793651
3 1TDF FAD 1.19048
4 1OBB NAD 1.19048
5 5FEU NAP 1.5873
6 3OFK SAH 1.85185
7 3KLJ FAD 1.98413
8 4M52 M52 2.38095
9 4M52 FAD 2.38095
10 2HIM ASN 2.38095
11 1WUU ANP 2.38095
12 5USZ SKE 2.38095
13 5YLT C7N 2.77778
14 3RNM FAD 2.77778
15 3Q9T FAY 2.77778
16 4XF6 ADP 2.77778
17 4XF6 LIP 2.77778
18 4XF6 INS 2.77778
19 1L3I SAH 2.77778
20 3RUV ANP 2.77778
21 3CQD ATP 2.77778
22 1V59 NAD 2.77778
23 2FK8 SAM 2.77778
24 5THQ NDP 2.94118
25 3AB1 FAD 3.05556
26 2Z6J FMN 3.1746
27 4USQ FAD 3.1746
28 4V15 PLP 3.1746
29 5OBU ANP 3.57143
30 1MUU NAD 3.57143
31 1UP7 NAD 3.57143
32 4B1X ATP 3.57143
33 5J7X FAD 3.57143
34 4URF NAD 3.62903
35 4X6I 3Y1 3.72093
36 2WC1 FMN 3.84615
37 1MO9 FAD 3.96825
38 1MO9 KPC 3.96825
39 4YKG NAD 3.96825
40 5LY3 ADP 3.96825
41 2C7G FAD 4.36508
42 2C7G ODP 4.36508
43 1KYQ NAD 4.37956
44 4LTN NAI 4.56853
45 3K56 IS3 4.7619
46 4JNE ATP 4.7619
47 3MB5 SAM 4.7619
48 2IVF MGD 4.7619
49 2VAP GDP 4.7619
50 4DQ2 BTX 4.7619
51 2PWY SAH 4.7619
52 1LFD GNP 4.79042
53 1QO8 FAD 5.15873
54 3CB2 GDP 5.15873
55 5JCA FAD 5.15873
56 1JXZ BCA 5.15873
57 1NZY BCA 5.15873
58 6G3R ADP 5.15873
59 2DVZ GLU 5.55556
60 1IIM TTP 5.55556
61 2GMH UQ5 5.55556
62 1OFD AKG 5.95238
63 1OFD FMN 5.95238
64 6ER9 FAD 5.95238
65 6ER9 NAP 5.95238
66 5XVR TRH 5.95238
67 5UWH GNP 6.32911
68 2XVF FAD 6.34921
69 3IES M24 6.34921
70 1RLJ FMN 6.47482
71 4JIQ FMN 6.74603
72 4JIQ 1L5 6.74603
73 1Q1R FAD 7.42459
74 5AHS COA 7.53968
75 3W8X FAD 7.93651
76 1B7Y FYA 7.93651
77 2CNE DFJ 8.33333
78 3ZLQ 6T9 8.73016
79 4Z94 ATP 9.92064
80 1IYE PGU 10.7143
81 5EYP GDP 11.1111
82 2D7I NGA 11.5079
83 2WPF WPF 11.9048
84 4Z0G 5GP 15.4762
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