Receptor
PDB id Resolution Class Description Source Keywords
2NUO 1.5 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF A COMPLEX OF GRIFFITHSIN WITH GLUCOSE GRIFFITHSIA GRIFFITHSIN LECTINS DOMAIN SWAPPING MANNOSE BINDING HIVSUGAR BINDING PROTEIN
Ref.: CRYSTALLOGRAPHIC STUDIES OF THE COMPLEXES OF ANTIVI PROTEIN GRIFFITHSIN WITH GLUCOSE AND N-ACETYLGLUCOS PROTEIN SCI. V. 16 1485 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BGC A:301;
A:302;
A:303;
B:304;
B:305;
B:306;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
submit data
180.156 C6 H12 O6 C([C@...
EDO A:402;
Invalid;
none;
submit data
62.068 C2 H6 O2 C(CO)...
SO4 A:401;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2NUO 1.5 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF A COMPLEX OF GRIFFITHSIN WITH GLUCOSE GRIFFITHSIA GRIFFITHSIN LECTINS DOMAIN SWAPPING MANNOSE BINDING HIVSUGAR BINDING PROTEIN
Ref.: CRYSTALLOGRAPHIC STUDIES OF THE COMPLEXES OF ANTIVI PROTEIN GRIFFITHSIN WITH GLUCOSE AND N-ACETYLGLUCOS PROTEIN SCI. V. 16 1485 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 2NUO - BGC 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 1068 families.
1 2NUO - BGC 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 922 families.
1 2NUO - BGC C6 H12 O6 C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BGC; 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 : 2NUO; Ligand: BGC; Similar sites found: 185
This union binding pocket(no: 1) in the query (biounit: 2nuo.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2BQP GLC 0.0000001097 0.6332 None
2 1LES GLC FRU 0.0000002356 0.55302 None
3 1OFS SUC 0.0000001708 0.5235 None
4 2HMT NAI 0.007994 0.4312 None
5 2JE7 XMM 0.00000228 0.55287 2.45902
6 3GD4 FAD 0.02457 0.42289 2.45902
7 3GD4 NAD 0.03213 0.42289 2.45902
8 2YBQ SAH 0.03812 0.42373 3.27869
9 3RG9 NDP 0.03075 0.40054 3.27869
10 5BUK FAD 0.004335 0.4606 4.09836
11 3TKY SAH 0.006717 0.43886 4.09836
12 4MO2 FDA 0.03152 0.42178 4.09836
13 2RGJ FAD 0.03367 0.40679 4.09836
14 16PK BIS 0.04726 0.40223 4.09836
15 4O4F IHP 0.004959 0.48184 4.91803
16 4O4F ATP 0.004687 0.48184 4.91803
17 3KLJ FAD 0.007058 0.44742 4.91803
18 3NZK C90 0.01152 0.43432 4.91803
19 4ZGS NAD 0.01638 0.42993 4.91803
20 3P3G 3P3 0.02498 0.42887 4.91803
21 3P3G UKW 0.02498 0.42887 4.91803
22 5U8U FAD 0.02402 0.427 4.91803
23 3ICS ADP 0.007897 0.4219 4.91803
24 1ZEM NAD 0.01362 0.41881 4.91803
25 2Q3R FMN 0.01607 0.41596 4.91803
26 3K56 IS3 0.009346 0.41161 4.91803
27 2BNE U5P 0.02607 0.40507 4.91803
28 3GDN FAD 0.03864 0.40333 4.91803
29 3EYA TDP 0.01913 0.40018 4.91803
30 2HQM FAD 0.004224 0.48728 5.7377
31 1ZGA SAH 0.004571 0.43406 5.7377
32 2PWY SAH 0.01037 0.42069 5.7377
33 4HKP TKW 0.01585 0.41703 5.7377
34 4O33 3PG 0.01342 0.41671 5.7377
35 4O33 TZN 0.01342 0.41671 5.7377
36 1RM4 NDP 0.007325 0.41224 5.7377
37 3C6K SPD 0.03495 0.40187 5.7377
38 3C6K MTA 0.03495 0.40187 5.7377
39 4L77 CNL 0.007315 0.40164 5.7377
40 2GNM MAN 0.0000001029 0.6319 6.55738
41 2GNB MAN 0.0000001165 0.6263 6.55738
42 2PHU MAN MAN 0.0000001728 0.61359 6.55738
43 1Q8V MAN MAN MAN 0.0000003589 0.60686 6.55738
44 1Q8O MAN MMA 0.000000285 0.60635 6.55738
45 1Q8V MAN MAN 0.0000004392 0.59102 6.55738
46 2GN3 MAN 0.000000153 0.59032 6.55738
47 2PHX MAN MAN MAN MAN 0.0000005743 0.58969 6.55738
48 2PHF MAN MAN BMA MAN 0.0000007121 0.58706 6.55738
49 2PHU MAN MAN MAN BMA MAN 0.0000008366 0.58639 6.55738
50 1Q8P MAN MMA 0.0000006281 0.58442 6.55738
51 2PHF MAN MAN 0.0000006627 0.58195 6.55738
52 2GN3 MMA 0.0000002816 0.57373 6.55738
53 2AR6 NAG MAN MAN MAN NAG 0.000002457 0.56948 6.55738
54 2AR6 NAG MAN 0.000002712 0.56459 6.55738
55 3ZYR NAG NAG BMA MAN MAN NAG NAG 0.000003691 0.56273 6.55738
56 3ZYR ASN NAG NAG BMA MAN MAN NAG NAG 0.000005694 0.55479 6.55738
57 2GMM MAN MAN 0.0000001372 0.54748 6.55738
58 1UKG MMA 0.0000101 0.52551 6.55738
59 2GND MAN 0.0000002243 0.51905 6.55738
60 2PHX MAN MAN 0.00001678 0.51749 6.55738
61 1LOF MAN BMA NAG NAG MAN NAG GAL GAL 0.00005615 0.5146 6.55738
62 2PHT MAN MAN MAN 0.0000003588 0.49674 6.55738
63 2PHW MAN MAN 0.00000055 0.47752 6.55738
64 2GND MAN MMA 0.000000587 0.47675 6.55738
65 2CUN 3PG 0.0002407 0.47582 6.55738
66 2PHR MAN MAN 0.0000007824 0.47311 6.55738
67 2PHR MAN MAN BMA MAN 0.0000006418 0.46323 6.55738
68 1Q8Q MAN MMA 0.00001389 0.45925 6.55738
69 4USQ FAD 0.01623 0.45754 6.55738
70 1Q8S MAN MMA 0.0000175 0.45536 6.55738
71 2GMP NAG MAN 0.00002292 0.45299 6.55738
72 2PHT MAN MAN MAN BMA MAN 0.0000007352 0.45027 6.55738
73 1LOB MMA 0.000002271 0.44886 6.55738
74 2PHW MAN MAN MAN BMA MAN MAN MAN 0.0000008684 0.44848 6.55738
75 2R4J 13P 0.009068 0.43667 6.55738
76 2AUY NAG MAN MMA 0.000001523 0.43322 6.55738
77 5A1S FLC 0.0007988 0.42394 6.55738
78 5BR7 FAD 0.04573 0.42375 6.55738
79 1GPE FAD 0.02009 0.41916 6.55738
80 1L3I SAH 0.01025 0.4181 6.55738
81 1FP1 SAH 0.009132 0.41734 6.55738
82 1V59 FAD 0.0352 0.41376 6.55738
83 1OFD AKG 0.01444 0.4055 6.55738
84 1HQL GLA MBG 0.00006272 0.47056 7.37705
85 1BXG NAD 0.001716 0.46756 7.37705
86 4RPL 3UC 0.009184 0.46345 7.37705
87 5J60 FAD 0.008632 0.45009 7.37705
88 3AI8 HNQ 0.01318 0.42462 7.37705
89 4RPL FAD 0.02662 0.42416 7.37705
90 5U3B 7TD 0.03253 0.42281 7.37705
91 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.01184 0.42187 7.37705
92 2JDR L20 0.01184 0.42187 7.37705
93 5JY6 NAD 0.02067 0.41433 7.37705
94 1ZFJ IMP 0.01201 0.40137 7.37705
95 4M00 SUC 0.000007137 0.54196 8.19672
96 1AE1 NAP 0.002468 0.4867 8.19672
97 3CQD ATP 0.0403 0.42641 8.19672
98 5MDH NAD 0.01247 0.42471 8.19672
99 2ABJ CBC 0.01063 0.42159 8.19672
100 1NQU RDL 0.03786 0.41874 8.19672
101 2VBU CDP 0.03688 0.41429 8.19672
102 4MRT COA 0.01748 0.40095 8.19672
103 5MST FUM 0.005123 0.40013 8.19672
104 1WMA AB3 0.01508 0.43349 9.01639
105 1WMA NDP 0.01508 0.43349 9.01639
106 1Q9I TEO 0.01496 0.40547 9.01639
107 1KAO GDP 0.01372 0.42139 9.58084
108 5THQ NDP 0.00426 0.4529 9.83607
109 1LYX PGA 0.00119 0.44366 9.83607
110 5JWC FAD 0.007787 0.44203 9.83607
111 4X9M FAD 0.01702 0.42543 9.83607
112 3UCL FAD 0.0153 0.42066 9.83607
113 3UCL NAP 0.01624 0.42066 9.83607
114 3UCL CYH 0.0153 0.42066 9.83607
115 1U6R ADP 0.01552 0.41898 9.83607
116 3GMB FAD 0.01459 0.41286 9.83607
117 2AOT SAH 0.008284 0.41258 9.83607
118 4K81 GTP 0.03268 0.40401 9.83607
119 3LXD FAD 0.0436 0.4015 9.83607
120 1MVQ MMA 0.000001127 0.59877 10.6557
121 1QZZ SAM 0.006249 0.42168 10.6557
122 1D4D FAD 0.00984 0.41482 10.6557
123 5TME UDP 0.01433 0.40889 10.6557
124 3C1O NAP 0.02375 0.4085 10.6557
125 2ZUX RAM 0.00722 0.40702 10.6557
126 1VRP ADP 0.0145 0.407 10.6557
127 2CSN CKI 0.02944 0.40007 10.6557
128 5BSR AMP 0.03004 0.42936 11.4754
129 5BSR COA 0.04182 0.42936 11.4754
130 2FLI DX5 0.001579 0.42642 11.4754
131 3I54 CMP 0.02385 0.40341 11.4754
132 2RAB NAD 0.00944 0.46273 12.2951
133 2RAB FAD 0.00583 0.46273 12.2951
134 1MO9 FAD 0.01967 0.43938 12.2951
135 2HIM ASN 0.001962 0.42795 12.2951
136 1EQ2 NAP 0.005168 0.43923 13.1148
137 3QMN COA 0.01215 0.41999 13.1148
138 1KYZ SAH 0.008612 0.41609 13.1148
139 2VQD AP2 0.01055 0.41504 13.1148
140 1E6E FAD 0.02974 0.40448 13.1148
141 4C3Y FAD 0.002328 0.45463 13.9344
142 4C3Y ANB 0.002752 0.45463 13.9344
143 5DNC ASN 0.00234 0.43523 13.9344
144 1LTH NAD 0.01005 0.41965 13.9344
145 4R8L ASP 0.005397 0.41037 13.9344
146 1DQX BMP 0.02154 0.40555 13.9344
147 3JQ8 NAP 0.0188 0.40323 13.9344
148 1I9G SAM 0.02253 0.40308 13.9344
149 1N62 FAD 0.04435 0.40485 14.7541
150 1M15 ARG 0.04138 0.40311 14.7541
151 1M15 ADP 0.04138 0.40311 14.7541
152 2CE7 ADP 0.04487 0.40249 14.7541
153 5GLN XYP XYP XYP 0.02436 0.40237 14.7541
154 5GLN XYS 0.02121 0.40209 14.7541
155 2QA1 FAD 0.02471 0.40084 16.3934
156 1FL2 FAD 0.03933 0.41453 17.2131
157 3JQ3 ADP 0.009616 0.40883 17.2131
158 2JK0 ASP 0.0009683 0.41592 18.0328
159 4BV6 FAD 0.006665 0.46975 18.8525
160 2X6T NAP 0.004722 0.44605 18.8525
161 4YRY FAD 0.03465 0.40616 19.6721
162 3PT9 SAH 0.02401 0.40606 19.6721
163 2FMD MAN MAN 0.000001216 0.55082 20.4918
164 1ELI PYC 0.0002285 0.51261 21.3115
165 3CTY FAD 0.006594 0.4744 21.3115
166 1PJS NAD 0.03411 0.40104 21.3115
167 1XXR MAN 0.000000001209 0.66143 23.7705
168 1VBO MAN 0.0000001516 0.57475 24.5902
169 1VBO MAN MAN MAN 0.0000001046 0.55869 24.5902
170 1JOT GAL A2G 0.0001166 0.49366 24.5902
171 5IQD RIO 0.02505 0.41974 24.5902
172 5IQD GNP 0.02417 0.41974 24.5902
173 1C3M MAN MAN 0.000000001615 0.79979 34.4262
174 1WS5 MMA 0.00008765 0.50446 37.7049
175 1WS4 AMG 0.00007556 0.50176 37.7049
176 1WS4 GYP 0.00008272 0.50013 37.7049
177 1UGY GLA BGC 0.00008844 0.49811 37.7049
178 1UGY GLA GLC 0.0001078 0.49213 37.7049
179 1KUJ MMA 0.0001678 0.49141 37.7049
180 1UGW GAL 0.0001264 0.48695 37.7049
181 1M26 GAL A2G 0.000282 0.48023 37.7049
182 1JAC AMG 0.0003424 0.45777 37.7049
183 1UGX GAL MGC 0.000018 0.42187 37.7049
184 1TOQ AMG 0.0001338 0.48525 40.1639
185 2BMZ XLM 0.000000001622 0.4279 48.3607
Pocket No.: 2; Query (leader) PDB : 2NUO; Ligand: BGC; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2nuo.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2NUO; Ligand: BGC; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 2nuo.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2NUO; Ligand: BGC; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 2nuo.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 2NUO; Ligand: BGC; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 2nuo.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 2NUO; Ligand: BGC; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 2nuo.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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