Receptor
PDB id Resolution Class Description Source Keywords
2NU5 1.56 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF A COMPLEX OF GRIFFITHSIN COCRYSTALLIZED ACETYLGLUCOSAMINE GRIFFITHSIA SP. GRIFFITHSIN; LECTINS; DOMAIN SWAPPING; MANNOSE BINDING; HIV;ANTIVIRAL PROTEINSUGAR 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
NAG A:122;
A:123;
A:124;
B:122;
B:123;
B:124;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
SO4 A:9001;
B:9002;
B:9003;
Invalid;
Invalid;
Invalid;
none;
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
2NU5 1.56 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF A COMPLEX OF GRIFFITHSIN COCRYSTALLIZED ACETYLGLUCOSAMINE GRIFFITHSIA SP. GRIFFITHSIN; LECTINS; DOMAIN SWAPPING; MANNOSE BINDING; HIV;ANTIVIRAL PROTEINSUGAR 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 2NU5 - NAG C8 H15 N O6 CC(=O)N[C@....
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 2NU5 - NAG C8 H15 N O6 CC(=O)N[C@....
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 2NU5 - NAG C8 H15 N O6 CC(=O)N[C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NAG; Similar ligands found: 109
No: Ligand ECFP6 Tc MDL keys Tc
1 NAG 1 1
2 HSQ 1 1
3 NGA 1 1
4 A2G 1 1
5 NDG 1 1
6 BM3 1 1
7 BGN 0.638298 0.888889
8 SIZ 0.630435 0.906977
9 YX1 0.625 0.65
10 GAL NGA A2G 0.614035 0.816327
11 STZ 0.612245 0.65
12 16G 0.591837 0.735849
13 BMX 0.591837 0.735849
14 4QY 0.591837 0.735849
15 SNG 0.5625 0.866667
16 NGS 0.54902 0.661017
17 NAG GDL 0.54386 0.833333
18 CBS 0.54386 0.833333
19 CBS CBS 0.54386 0.833333
20 NAG NDG 0.54386 0.833333
21 ASG 0.538462 0.661017
22 BG8 0.537037 0.906977
23 2F8 0.530612 0.909091
24 MAG 0.530612 0.909091
25 NLC 0.517857 0.888889
26 GAL NDG 0.517857 0.888889
27 NDG GAL 0.517857 0.888889
28 NAG A2G 0.517241 0.833333
29 4V5 0.517241 0.829787
30 NAG NGA 0.517241 0.833333
31 MAN NAG 0.508772 0.888889
32 4UZ 0.508475 0.808511
33 NDG NAG NAG 0.508197 0.816327
34 CTO 0.508197 0.816327
35 NAG NAG NDG 0.508197 0.816327
36 NAG NAG NAG NDG 0.508197 0.816327
37 NAG NAG NAG NAG NAG NAG NAG NAG 0.508197 0.816327
38 NDG NAG NAG NDG 0.508197 0.816327
39 NAG NAG NAG NAG 0.508197 0.816327
40 NAG NAG NAG 0.508197 0.816327
41 NAG NAG NAG NAG NDG NAG 0.508197 0.816327
42 NAG NAG NAG NAG NAG NAG 0.508197 0.816327
43 NDG NAG NAG NDG NAG 0.508197 0.816327
44 NDG NAG NAG NAG 0.508197 0.816327
45 NAG NAG NAG NAG NDG 0.508197 0.816327
46 NAG NAG NAG NAG NAG 0.508197 0.816327
47 NBG 0.5 0.951219
48 MQG 0.5 0.698113
49 A2G GAL 0.491228 0.888889
50 GAL A2G 0.491228 0.888889
51 GAL NGA 0.491228 0.888889
52 AMU 0.490909 0.930233
53 GN1 0.490566 0.754717
54 NG1 0.490566 0.754717
55 NDG NAG 0.47541 0.816327
56 NAG GAL 0.474576 0.888889
57 NGA GAL 0.474576 0.888889
58 NAG FUC 0.474576 0.866667
59 GAL NAG 0.474576 0.888889
60 NAG GAL NAG 0.455882 0.833333
61 FUC NAG 0.45 0.888889
62 3YW 0.448276 0.930233
63 GLA GAL NAG 0.446154 0.888889
64 MAN BMA NAG 0.446154 0.888889
65 NAG GAL GAL 0.446154 0.888889
66 FUL GAL NAG 0.426471 0.869565
67 G6S NAG 0.426471 0.677966
68 DR2 0.426471 0.869565
69 FUC GAL NDG 0.426471 0.869565
70 FUC GAL NAG 0.426471 0.869565
71 NDG GAL FUC 0.426471 0.869565
72 GYU 0.42623 0.740741
73 TNR 0.42623 0.833333
74 NAG BDP 0.421875 0.851064
75 NAG MBG 0.419355 0.851064
76 NGA GAL BGC 0.41791 0.888889
77 NAG NAG 0.415385 0.784314
78 AZC 0.415094 0.795918
79 SN5 SN5 0.412698 0.705882
80 MBG A2G 0.412698 0.851064
81 A2G MBG 0.412698 0.851064
82 HS2 0.411765 0.8125
83 5AX 0.411765 0.866667
84 6ZC 0.409091 0.655738
85 LEC 0.409091 0.655738
86 GAL BGC NAG GAL 0.408451 0.888889
87 TCG 0.408451 0.689655
88 CTO TMX 0.408451 0.689655
89 NAG NAG NAG NAG NAG NAG NAG 0.407895 0.740741
90 BMA 0.404762 0.7
91 WOO 0.404762 0.7
92 ALL 0.404762 0.7
93 GLA 0.404762 0.7
94 MAN 0.404762 0.7
95 GAL 0.404762 0.7
96 GLC 0.404762 0.7
97 GXL 0.404762 0.7
98 GIV 0.404762 0.7
99 BGC 0.404762 0.7
100 NAG AMU 0.402778 0.8
101 NAG MUB 0.402778 0.8
102 A2G GAL FUC 0.4 0.869565
103 DR3 0.4 0.869565
104 NAG GAL FUC 0.4 0.869565
105 FUC GL0 A2G 0.4 0.869565
106 A2G GLA FUC 0.4 0.869565
107 FUC GAL A2G 0.4 0.869565
108 NGA GAL FUC 0.4 0.869565
109 FUC GLA A2G 0.4 0.869565
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2NU5; Ligand: NAG; Similar sites found: 200
This union binding pocket(no: 1) in the query (biounit: 2nu5.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2BQP GLC 0.00000005649 0.64418 None
2 1OFS SUC 0.0000000842 0.63655 None
3 1LES GLC FRU 0.00000009077 0.61933 None
4 2GJ5 VD3 0.01019 0.44644 None
5 2O07 MTA 0.01111 0.41789 None
6 2HMT NAI 0.01205 0.41473 None
7 1N2X SAM 0.02607 0.413 None
8 4KCT PYR 0.01251 0.40375 1.63934
9 5C5H 4YB 0.01344 0.40369 1.63934
10 2JE7 XMM 0.000001162 0.55619 2.45902
11 1HYH NAD 0.03081 0.41372 2.45902
12 5BVA FAD 0.02585 0.43437 3.27869
13 1DJN ADP 0.009553 0.41821 3.27869
14 4MO2 FDA 0.01284 0.44508 4.09836
15 1SOW NAD 0.01636 0.43279 4.09836
16 5BUK FAD 0.04501 0.42693 4.09836
17 16PK BIS 0.02845 0.41333 4.09836
18 3KRR DQX 0.04958 0.41132 4.09836
19 4X6I 3Y1 0.01129 0.40846 4.09836
20 3TKY SAH 0.01363 0.40558 4.09836
21 5I3B HQE 0.006874 0.40201 4.09836
22 2A8X FAD 0.03053 0.40113 4.09836
23 3VPH NAD 0.01268 0.45325 4.19355
24 3VPH OXM 0.02866 0.4143 4.19355
25 4O4F IHP 0.01466 0.44825 4.91803
26 4O4F ATP 0.01391 0.44825 4.91803
27 2PUL ACP 0.003761 0.43918 4.91803
28 4ZGS NAD 0.01648 0.43342 4.91803
29 3P3G UKW 0.01856 0.4332 4.91803
30 3P3G 3P3 0.01856 0.4332 4.91803
31 3KLJ FAD 0.01482 0.43086 4.91803
32 3NZK C90 0.01206 0.42819 4.91803
33 1ZEM NAD 0.009091 0.42519 4.91803
34 1A5Z NAD 0.01916 0.42188 4.91803
35 2Q3R FMN 0.01609 0.41902 4.91803
36 5U8U FAD 0.03166 0.41489 4.91803
37 3GDN FAD 0.04475 0.41403 4.91803
38 4EMI FAD 0.03881 0.40917 4.91803
39 2XVF FAD 0.008133 0.4068 4.91803
40 4GKY MAN 0.001293 0.40336 4.91803
41 4O33 3PG 0.01141 0.41732 5.7377
42 4O33 TZN 0.01141 0.41732 5.7377
43 3STK PLM 0.03992 0.41663 5.7377
44 4HKP TKW 0.01562 0.41531 5.7377
45 3CGB FAD 0.03009 0.4131 5.7377
46 4L77 CNL 0.005694 0.40956 5.7377
47 2XVE FAD 0.01551 0.40951 5.7377
48 1VPE ANP 0.01068 0.4067 5.7377
49 4U36 TNR 0.008288 0.40597 5.7377
50 3QV1 NAD 0.02439 0.40427 5.7377
51 2VAP GDP 0.04171 0.4035 5.7377
52 2PHU MAN MAN 0.00000002916 0.68848 6.55738
53 2GNM MAN 0.00000002022 0.66767 6.55738
54 1Q8V MAN MAN MAN 0.00000006158 0.66467 6.55738
55 1Q8O MAN MMA 0.00000005462 0.66077 6.55738
56 2GNB MAN 0.00000002046 0.65898 6.55738
57 1Q8V MAN MAN 0.00000005167 0.6574 6.55738
58 2PHU MAN MAN MAN BMA MAN 0.0000001107 0.65686 6.55738
59 2PHF MAN MAN BMA MAN 0.00000009829 0.65641 6.55738
60 2PHF MAN MAN 0.00000009298 0.64803 6.55738
61 2PHX MAN MAN MAN MAN 0.0000001029 0.64772 6.55738
62 1Q8P MAN MMA 0.00000009843 0.64606 6.55738
63 2AUY NAG MAN MMA 0.0000001878 0.64095 6.55738
64 2AR6 NAG MAN MAN MAN NAG 0.0000003455 0.63948 6.55738
65 2GN3 MAN 0.00000002327 0.63562 6.55738
66 2AR6 NAG MAN 0.0000003087 0.63069 6.55738
67 3ZYR NAG NAG BMA MAN MAN NAG NAG 0.0000006568 0.62612 6.55738
68 2GN3 MMA 0.00000003856 0.62296 6.55738
69 3ZYR ASN NAG NAG BMA MAN MAN NAG NAG 0.0000007874 0.61821 6.55738
70 2GMM MAN MAN 0.00000001404 0.58748 6.55738
71 1Q8Q MAN MMA 0.000002693 0.56555 6.55738
72 2PHX MAN MAN 0.000004019 0.55894 6.55738
73 1UKG MMA 0.000002207 0.55846 6.55738
74 2GND MAN 0.00000003803 0.54705 6.55738
75 1LOF MAN BMA NAG NAG MAN NAG GAL GAL 0.00002584 0.54027 6.55738
76 2PHT MAN MAN MAN 0.00000007582 0.51844 6.55738
77 2GND MAN MMA 0.00000008607 0.50081 6.55738
78 2PHW MAN MAN 0.00000008958 0.50029 6.55738
79 2PHR MAN MAN 0.00000009378 0.4997 6.55738
80 2PHR MAN MAN BMA MAN 0.00000009237 0.48523 6.55738
81 1Q8S MAN MMA 0.000003148 0.48107 6.55738
82 2CUN 3PG 0.0001557 0.47864 6.55738
83 2PHT MAN MAN MAN BMA MAN 0.0000001133 0.46968 6.55738
84 2GMP NAG MAN 0.000008179 0.46843 6.55738
85 2PHW MAN MAN MAN BMA MAN MAN MAN 0.0000001463 0.46704 6.55738
86 1LOB MMA 0.0000008801 0.46051 6.55738
87 4USQ FAD 0.01711 0.4522 6.55738
88 5L4S NAP 0.009335 0.44793 6.55738
89 5L4S 6KX 0.009335 0.44793 6.55738
90 2R4J 13P 0.006359 0.44713 6.55738
91 5BR7 FAD 0.02223 0.44319 6.55738
92 2YVF NAD 0.02747 0.44038 6.55738
93 1OFD AKG 0.008129 0.43758 6.55738
94 5A1S FLC 0.0009214 0.41992 6.55738
95 1OFD FMN 0.01342 0.41333 6.55738
96 2D3S TNR 0.01055 0.40396 6.55738
97 1WPQ NAD 0.02323 0.40068 6.55738
98 1HQL GLA MBG 0.00001017 0.52235 7.37705
99 4RPL 3UC 0.005644 0.47441 7.37705
100 4RPL FAD 0.01878 0.44404 7.37705
101 1BXG NAD 0.003371 0.44157 7.37705
102 5U3B 7TD 0.03335 0.41436 7.37705
103 4D42 NAP 0.03029 0.41339 7.37705
104 4D42 W0I 0.03029 0.41339 7.37705
105 1T3Q FAD 0.04107 0.41134 7.37705
106 2RGO FAD 0.0409 0.40159 7.37705
107 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.03529 0.40021 7.37705
108 2JDR L20 0.03529 0.40021 7.37705
109 4M00 SUC 0.000002883 0.57393 8.19672
110 5DEX 5E0 0.006784 0.42946 8.19672
111 2VPQ ANP 0.01577 0.42303 8.19672
112 4MRT COA 0.01517 0.40731 8.19672
113 2VBU CDP 0.04226 0.40599 8.19672
114 2YY7 NAD 0.03137 0.4003 8.19672
115 1WMA NDP 0.005068 0.46722 9.01639
116 1WMA AB3 0.005068 0.46722 9.01639
117 1YKF NAP 0.01061 0.45508 9.01639
118 2F5Z FAD 0.006941 0.44904 9.01639
119 4PLG NAI 0.02228 0.42925 9.01639
120 4POO SAM 0.01478 0.4239 9.01639
121 1Q9I TEO 0.009792 0.40978 9.01639
122 1LDN NAD 0.03816 0.40856 9.01639
123 1NLU IVA PHI TYB 0.008633 0.40185 9.01639
124 2IVN ANP 0.01423 0.40051 9.01639
125 1KAO GDP 0.01708 0.4099 9.58084
126 1LYX PGA 0.0006297 0.46577 9.83607
127 5F52 ASP 0.005236 0.4439 9.83607
128 3UCL CYH 0.01097 0.43922 9.83607
129 3UCL FAD 0.01097 0.43922 9.83607
130 3UCL NAP 0.01166 0.43922 9.83607
131 1U6R ADP 0.005687 0.43306 9.83607
132 2Q6B HR2 0.02789 0.4301 9.83607
133 4K81 GTP 0.02774 0.4114 9.83607
134 2YVJ FAD 0.03158 0.42242 10.0917
135 1MVQ MMA 0.000000623 0.61148 10.6557
136 4DQ2 BTX 0.003217 0.43775 10.6557
137 1D4D FAD 0.005646 0.42496 10.6557
138 1O94 ADP 0.009835 0.4183 10.6557
139 1VRP ADP 0.006738 0.41759 10.6557
140 3OEN GLU 0.002017 0.411 10.6557
141 5GZ6 7C3 0.01377 0.41484 11.4754
142 5GZ6 NDP 0.01224 0.41484 11.4754
143 2Q4W FAD 0.02174 0.40102 11.4754
144 5WGR FAD 0.02276 0.44707 12.2951
145 1KEV NDP 0.01588 0.44339 12.2951
146 5X8G S0N 0.01403 0.42218 12.2951
147 4HZO COA 0.02347 0.4177 12.2951
148 1EQ2 NAP 0.007146 0.43024 13.1148
149 2VQD AP2 0.009149 0.41981 13.1148
150 1EZ4 NAD 0.03129 0.41554 13.1148
151 1E6E FAD 0.04347 0.41225 13.1148
152 4HDO GNP 0.01689 0.40774 13.1148
153 3EWP APR 0.04472 0.40617 13.1148
154 3QMN COA 0.01693 0.40485 13.1148
155 3RNM FAD 0.01633 0.41475 13.7931
156 4C3Y FAD 0.00694 0.43359 13.9344
157 4C3Y ANB 0.008114 0.43359 13.9344
158 1FIQ FAD 0.02344 0.41287 13.9344
159 3JQ8 NAP 0.01164 0.40982 13.9344
160 1LTH NAD 0.04001 0.40313 13.9344
161 5GLN XYS 0.006664 0.4346 14.7541
162 1M15 ADP 0.01816 0.42637 14.7541
163 1M15 ARG 0.01816 0.42637 14.7541
164 1I0Z NAI 0.01884 0.42583 14.7541
165 1TZJ A3B 0.007637 0.4042 14.7541
166 3HDY FDA 0.02403 0.43211 15.5738
167 3HDY FAD 0.02791 0.42638 15.5738
168 3O26 NDP 0.003548 0.4602 17.2131
169 1FL2 FAD 0.03137 0.43582 17.2131
170 3JQ3 ADP 0.005585 0.41312 17.2131
171 2JK0 ASP 0.002769 0.41059 18.0328
172 2X6T NAP 0.005499 0.44283 18.8525
173 4YRY FAD 0.01269 0.43556 19.6721
174 3ZEI AWH 0.01797 0.4341 19.6721
175 4YRY NAD 0.04916 0.43013 19.6721
176 2FMD MAN MAN 0.0000002 0.58795 20.4918
177 1ELI PYC 0.0001151 0.54457 21.3115
178 3QDW A2G 0.02038 0.40215 21.3115
179 3QDV A2G 0.0202 0.40167 21.3115
180 3ENG CBI 0.006143 0.40648 22.1311
181 1XXR MAN 0.0000000003476 0.80566 23.7705
182 1VBO MAN MAN MAN 0.00000001584 0.72782 24.5902
183 1VBO MAN 0.00000002465 0.69872 24.5902
184 1JOT GAL A2G 0.00006299 0.50718 24.5902
185 4J56 FAD 0.01804 0.44364 24.5902
186 5IQD GNP 0.02481 0.40984 24.5902
187 5IQD RIO 0.02571 0.40984 24.5902
188 1C3M MAN MAN 0.0000000004297 0.83583 34.4262
189 1WS5 MMA 0.00003193 0.52729 37.7049
190 1WS4 AMG 0.00003397 0.52124 37.7049
191 1WS4 GYP 0.00003959 0.51825 37.7049
192 1UGY GLA BGC 0.00003764 0.51774 37.7049
193 1KUJ MMA 0.00005682 0.51384 37.7049
194 1UGY GLA GLC 0.00005012 0.51092 37.7049
195 1UGW GAL 0.00005814 0.5058 37.7049
196 1M26 GAL A2G 0.0001337 0.49836 37.7049
197 1JAC AMG 0.0001488 0.4787 37.7049
198 1UGX GAL MGC 0.00001126 0.42771 37.7049
199 1TOQ AMG 0.00006653 0.50342 40.1639
200 2BMZ XLM 0.000000001233 0.43141 48.3607
Pocket No.: 2; Query (leader) PDB : 2NU5; Ligand: NAG; 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: 2nu5.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2NU5; Ligand: NAG; 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: 2nu5.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2NU5; Ligand: NAG; 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: 2nu5.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 2NU5; Ligand: NAG; 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: 2nu5.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 2NU5; Ligand: NAG; 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: 2nu5.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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