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Receptor
PDB id Resolution Class Description Source Keywords
1V6L 2.5 Å NON-ENZYME: BINDING PEANUT LECTIN-LACTOSE COMPLEX IN THE PRESENCE OF 9MER PEPTIDE (PVIWSSATG) ARACHIS HYPOGAEA LECTIN OPEN QUATERNARY ASSOCIATION ORTHORHOMBIC CARBOHYDRATE SPECIFICITY PROTEIN CRYSTALLOGRAPHY AGGLUTININ PEPTIDE SUGAR BINDING PROTEIN
Ref.: STRUCTURAL PLASTICITY OF PEANUT LECTIN: AN X-RAY ANALYSIS INVOLVING VARIATION IN PH, LIGAND BINDING AND CRYSTAL STRUCTURE. ACTA CRYSTALLOGR.,SECT.D V. 60 211 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:237;
B:237;
C:237;
D:237;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
GAL BGC B:235;
C:235;
Valid;
Valid;
none;
none;
submit data
342.297 n/a O(C1C...
GAL GLC A:235;
D:235;
Valid;
Valid;
none;
none;
submit data
342.297 n/a O(CC1...
MN A:238;
B:238;
C:238;
D:238;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
54.938 Mn [Mn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2PEL 2.25 Å NON-ENZYME: BINDING PEANUT LECTIN ARACHIS HYPOGAEA LEGUME LECTIN OPEN QUATERNARY STRUCTURE CARBOHYDRATE SPECIPROTEIN CRYSTALLOGRAPHY AGGLUTININ LECTIN (AGGLUTININ)
Ref.: CONFORMATION, PROTEIN-CARBOHYDRATE INTERACTIONS AND SUBUNIT ASSOCIATION IN THE REFINED STRUCTURE OF PEA LECTIN-LACTOSE COMPLEX. J.MOL.BIOL. V. 259 281 1996
Members (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 510 families.
1 2DVA - GAL MGC n/a n/a
2 2DV9 - GAL GAL n/a n/a
3 1V6K - GAL GLC n/a n/a
4 1V6L - GAL BGC n/a n/a
5 2DVD - GAL GAL n/a n/a
6 2TEP - GAL NGA n/a n/a
7 2DVB - GAL C6 H12 O6 C([C@@H]1[....
8 1V6I - GAL GLC n/a n/a
9 2PEL Ki = 1.37 mM LAT C12 H22 O11 C([C@@H]1[....
70% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 391 families.
1 2DVA - GAL MGC n/a n/a
2 2DV9 - GAL GAL n/a n/a
3 1V6K - GAL GLC n/a n/a
4 1V6L - GAL BGC n/a n/a
5 2DVD - GAL GAL n/a n/a
6 2TEP - GAL NGA n/a n/a
7 2DVB - GAL C6 H12 O6 C([C@@H]1[....
8 1V6I - GAL GLC n/a n/a
9 2PEL Ki = 1.37 mM LAT C12 H22 O11 C([C@@H]1[....
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: GAL BGC; Similar ligands found: 333
No: Ligand ECFP6 Tc MDL keys Tc
1 GLA GLA 1 1
2 GAL BGC 1 1
3 GLC GAL 1 1
4 BMA GAL 1 1
5 LBT 1 1
6 BGC GAL 1 1
7 CBI 1 1
8 MAL 1 1
9 CBK 1 1
10 BGC BMA 1 1
11 N9S 1 1
12 MAB 1 1
13 LAT 1 1
14 GLA GAL 1 1
15 B2G 1 1
16 BMA BMA BMA 0.909091 1
17 GLA GAL GLC 0.909091 1
18 GLC BGC BGC 0.909091 1
19 GLC BGC BGC BGC 0.909091 1
20 GLC GLC GLC GLC GLC 0.909091 1
21 CT3 0.909091 1
22 BGC GLC GLC GLC 0.909091 1
23 BGC BGC BGC BGC 0.909091 1
24 CTT 0.909091 1
25 CTR 0.909091 1
26 GLC GAL GAL 0.909091 1
27 MAN BMA BMA BMA BMA BMA 0.909091 1
28 BGC BGC BGC GLC 0.909091 1
29 CEY 0.909091 1
30 B4G 0.909091 1
31 BGC BGC BGC 0.909091 1
32 GLC GLC BGC 0.909091 1
33 CE5 0.909091 1
34 BGC BGC BGC BGC BGC BGC 0.909091 1
35 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.909091 1
36 BMA BMA BMA BMA BMA BMA 0.909091 1
37 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.909091 1
38 GLA GAL BGC 0.909091 1
39 MLR 0.909091 1
40 MAN BMA BMA 0.909091 1
41 BGC GLC GLC GLC GLC GLC GLC 0.909091 1
42 BMA BMA BMA BMA BMA 0.909091 1
43 BGC BGC GLC 0.909091 1
44 MAN MAN BMA BMA BMA BMA 0.909091 1
45 BGC GLC GLC 0.909091 1
46 BGC BGC BGC BGC BGC 0.909091 1
47 MT7 0.909091 1
48 GLC BGC BGC BGC BGC 0.909091 1
49 CE6 0.909091 1
50 MTT 0.909091 1
51 CE8 0.909091 1
52 MAN BMA BMA BMA BMA 0.909091 1
53 GLC BGC GLC 0.909091 1
54 DXI 0.909091 1
55 GLC BGC BGC BGC BGC BGC 0.909091 1
56 CEX 0.909091 1
57 GAL GAL GAL 0.909091 1
58 BMA MAN BMA 0.909091 1
59 BGC GLC GLC GLC GLC 0.909091 1
60 GLA GAL GAL 0.816327 1
61 BGC BGC BGC BGC BGC BGC BGC BGC 0.754717 1
62 BMA BMA GLA BMA BMA 0.689655 1
63 XYT 0.685185 0.767442
64 LAT GLA 0.680851 1
65 GLC GLC GLC BGC 0.672414 1
66 U63 0.647059 0.891892
67 MMA MAN 0.64 0.942857
68 DR5 0.64 0.942857
69 GLA EGA 0.634615 0.942857
70 GAL FUC 0.615385 0.941176
71 2M4 0.612245 1
72 BGC GAL FUC 0.610169 0.970588
73 FUC GAL GLC 0.610169 0.970588
74 8B7 0.610169 0.970588
75 GLC GAL FUC 0.610169 0.970588
76 LAT FUC 0.610169 0.970588
77 BGC GLA GAL FUC 0.609375 0.970588
78 BQZ 0.608696 0.909091
79 BGC GAL NAG GAL 0.606061 0.733333
80 GAL NAG GAL GLC 0.606061 0.733333
81 BMA BMA BMA BMA 0.603448 0.941176
82 M3M 0.6 1
83 LB2 0.6 1
84 NGR 0.6 1
85 MAN GLC 0.6 1
86 MAL EDO 0.592593 0.942857
87 BGC BGC BGC XYS GAL 0.588235 0.942857
88 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.588235 0.942857
89 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.588235 0.942857
90 BGC BGC BGC XYS BGC BGC 0.588235 0.942857
91 LAT NAG GAL 0.588235 0.733333
92 GLC GAL NAG GAL 0.588235 0.733333
93 NGA GAL BGC 0.587302 0.733333
94 TRE 0.581395 1
95 ABD 0.57971 0.75
96 NLC 0.578947 0.733333
97 NDG GAL 0.578947 0.733333
98 GAL NDG 0.578947 0.733333
99 5GO 0.578947 0.66
100 DEL 0.574074 0.970588
101 MVP 0.571429 0.733333
102 GAL NGA GLA BGC GAL 0.571429 0.733333
103 GAL BGC BGC XYS 0.569231 0.942857
104 SGA BGC 0.568965 0.66
105 BGC BGC 0.566038 0.914286
106 BMA BMA 0.566038 0.914286
107 GLC GLC XYP 0.557377 1
108 BGC BGC XYS BGC 0.552239 0.942857
109 NAG GAL BGC 0.552239 0.733333
110 GLA GAL BGC 5VQ 0.551724 0.891892
111 G2F BGC BGC BGC BGC BGC 0.55 0.868421
112 GLA MBG 0.54902 0.942857
113 GLC ACI G6D BGC 0.547945 0.733333
114 GLC G6D ACI GLC 0.547945 0.733333
115 GLC ACI GLD GLC 0.547945 0.733333
116 GLC G6D ADH GLC 0.547945 0.733333
117 GLC BGC BGC BGC BGC BGC BGC 0.545455 1
118 BGC BGC BGC GLC BGC BGC 0.545455 1
119 BMA BMA MAN 0.535714 1
120 MAN MAN BMA 0.535714 1
121 NGA GLA GAL BGC 0.535211 0.733333
122 GAL BGC BGC BGC XYS BGC XYS 0.533333 0.942857
123 BGC BGC BGC XYS BGC XYS GAL 0.533333 0.942857
124 BGC BGC BGC XYS BGC XYS XYS 0.528571 0.942857
125 BGC BGC XYS BGC XYS BGC XYS 0.528571 0.942857
126 GLC BGC BGC XYS BGC XYS XYS 0.528571 0.942857
127 BMA MAN MAN MAN 0.525424 1
128 GLA GAL GLC NBU 0.52459 0.846154
129 FUC BGC GAL 0.52459 0.970588
130 GLC GLC G6D ACI GLC GLC GLC 0.519481 0.733333
131 GLC ACI GLD GAL 0.519481 0.702128
132 GLC ACI G6D GLC 0.519481 0.702128
133 BGC BGC BGC FRU 0.516129 0.868421
134 DOM 0.509091 0.942857
135 G3I 0.507937 0.767442
136 LMU 0.507937 0.785714
137 DMU 0.507937 0.785714
138 UMQ 0.507937 0.785714
139 OXZ BGC BGC 0.507937 0.6875
140 G2I 0.507937 0.767442
141 LMT 0.507937 0.785714
142 GAL XYS XYS BGC BGC BGC XYS GAL BGC 0.506329 0.942857
143 BGC BGC XYS BGC GAL XYS BGC XYS GAL 0.506329 0.942857
144 GAL BGC BGC BGC XYS XYS 0.506329 0.942857
145 GLC BGC BGC XYS BGC XYS XYS GAL GAL 0.506329 0.942857
146 GLC BGC BGC XYS BGC XYS XYS GAL 0.506329 0.942857
147 FMO 0.5 0.868421
148 MAN BMA NAG 0.5 0.733333
149 SOR GLC GLC 0.5 0.970588
150 GLA GAL NAG 0.5 0.733333
151 8VZ 0.5 0.673469
152 ACR GLC GLC GLC 0.493827 0.702128
153 GLC GLC DAF BGC 0.493827 0.702128
154 GLC GLC ACI G6D GLC GLC 0.493827 0.702128
155 ARE 0.493827 0.733333
156 GLC GLC AGL HMC GLC 0.493827 0.702128
157 AAO 0.493827 0.733333
158 GLC GLC XYS 0.492308 0.970588
159 MAN BMA MAN 0.491803 1
160 CGC 0.491525 0.941176
161 5QP 0.491228 0.885714
162 GAL MBG 0.490909 0.942857
163 MDM 0.490909 0.942857
164 RZM 0.490909 0.688889
165 M13 0.490909 0.942857
166 GAL NAG MAN 0.485294 0.733333
167 SOR GLC GLC GLC 0.484848 0.970588
168 GLO GLC GLC GLC 0.484848 0.970588
169 6UZ 0.484848 0.846154
170 LAG 0.484848 0.6
171 GAL BGC NAG GAL 0.478873 0.733333
172 GTM BGC BGC 0.477612 0.868421
173 10M 0.477612 0.733333
174 MAN MAN MAN MAN 0.476923 1
175 MAN MAN BMA MAN 0.476923 1
176 GLA GAL NAG FUC GAL GLC 0.47619 0.717391
177 GAL GAL SO4 0.47619 0.66
178 NAG BMA 0.47619 0.653061
179 GAL NGA 0.47541 0.733333
180 A2G GAL 0.47541 0.733333
181 GAL A2G 0.47541 0.733333
182 GLA BMA 0.472727 1
183 GLC BGC 0.472727 1
184 GAL GAL 0.472727 1
185 GLA GLC 0.472727 1
186 BGC GLA 0.472727 1
187 GAL GLC 0.472727 1
188 GLA BGC 0.472727 1
189 BMA GLA 0.472727 1
190 BMA MAN 0.472727 1
191 MAN MAN 0.472727 1
192 BGC GLC 0.472727 1
193 MLB 0.472727 1
194 GLC GLC 0.472727 1
195 MAN BMA 0.472727 1
196 LAK 0.472727 1
197 NPJ 0.470588 0.622642
198 FUC GAL NAG GAL BGC 0.469136 0.717391
199 GAL GLC NAG GAL FUC 0.469136 0.717391
200 GLC NAG GAL GAL FUC 0.469136 0.717391
201 MAN MAN MAN GLC 0.46875 1
202 ABL 0.466667 0.702128
203 FRU GAL 0.465517 0.842105
204 BMA FRU 0.465517 0.842105
205 DAF BGC 0.464789 0.733333
206 DAF GLC 0.464789 0.733333
207 TM6 0.463768 0.916667
208 BGC SGC BGC SGC BGC SGC BGC SGC 0.463768 0.916667
209 LSE 0.462687 0.6875
210 FUC GLA GLA 0.460317 0.970588
211 GAL GAL FUC 0.460317 0.970588
212 FUC GAL GLA 0.460317 0.970588
213 GLA GLA FUC 0.460317 0.970588
214 GLA GAL FUC 0.460317 0.970588
215 IFM BMA 0.457627 0.711111
216 9MR 0.457627 0.744186
217 IFM BGC 0.457627 0.711111
218 BMA IFM 0.457627 0.711111
219 BGC OXZ 0.457627 0.666667
220 RCB 0.457143 0.622642
221 GLO GLC GLC 0.457143 0.942857
222 MAN MAN MAN 0.45614 1
223 GLC GLC GLC GLC BGC 0.45614 1
224 GLC GLC GLC GLC GLC BGC 0.45614 1
225 BMA MAN MAN 0.45614 1
226 GLC GLC GLC 0.45614 1
227 WOO 0.454545 0.848485
228 GIV 0.454545 0.848485
229 BGC 0.454545 0.848485
230 ALL 0.454545 0.848485
231 GAL 0.454545 0.848485
232 GLA 0.454545 0.848485
233 GLC 0.454545 0.848485
234 GXL 0.454545 0.848485
235 BMA 0.454545 0.848485
236 MAN 0.454545 0.848485
237 ACI GLD GLC GAL 0.453333 0.733333
238 DAF BGC GLC 0.453333 0.733333
239 DAF GLC GLC 0.453333 0.733333
240 MGL SGC BGC BGC 0.450704 0.868421
241 MGL SGC GLC GLC 0.450704 0.868421
242 CM5 0.450704 0.891892
243 MAN MAN MAN BMA MAN 0.450704 1
244 BGC BGC SGC MGL 0.450704 0.868421
245 MAN MNM 0.45 0.702128
246 GLC DMJ 0.45 0.695652
247 A2G GAL BGC FUC 0.45 0.717391
248 NOJ GLC 0.45 0.695652
249 NOY BGC 0.45 0.702128
250 BMA MAN MAN MAN MAN 0.449275 1
251 GCS GCS 0.448276 0.767442
252 PA1 GCS 0.448276 0.767442
253 M5S 0.447761 1
254 MAN BMA MAN MAN MAN 0.447761 1
255 TXT 0.447368 0.767442
256 GAC 0.447368 0.767442
257 GLC GAL NAG GAL FUC FUC 0.447059 0.702128
258 BGC GAL NAG GAL FUC FUC 0.447059 0.702128
259 GAL NAG GAL NAG GAL NAG 0.445946 0.673469
260 NAG GAL GAL NAG GAL 0.445946 0.6875
261 NAG GAL GAL NAG 0.445946 0.6875
262 MA4 0.444444 0.891892
263 QV4 0.444444 0.733333
264 MAN DGO 0.440678 0.914286
265 3SA 0.44 0.733333
266 Z6J 0.439024 0.742857
267 GLC GLC GLC PO4 SGC GLC 0.439024 0.66
268 AHR 0.439024 0.742857
269 RIB 0.439024 0.742857
270 FUB 0.439024 0.742857
271 32O 0.439024 0.742857
272 T6P 0.438596 0.767442
273 MMA 0.4375 0.857143
274 MBG 0.4375 0.857143
275 GYP 0.4375 0.857143
276 AMG 0.4375 0.857143
277 MAN G63 0.435484 0.653061
278 GDQ GLC 0.435484 0.666667
279 4MU BGC BGC 0.434211 0.767442
280 ISX 0.433333 0.761905
281 MAN 7D1 0.431034 0.888889
282 ACR 0.43038 0.733333
283 QPS 0.43038 0.733333
284 GAL MGC 0.428571 0.702128
285 4MU BGC BGC BGC BGC 0.428571 0.767442
286 GAL NDG FUC 0.422535 0.717391
287 FUC NDG GAL 0.422535 0.717391
288 HMC AGL GLC 0.421053 0.717391
289 KHO 0.421053 0.888889
290 GCS GCS GCS 0.419355 0.767442
291 GCS GCS GCS GCS GCS 0.419355 0.767442
292 GCS GCS GCS GCS GCS GCS 0.419355 0.767442
293 GAL NAG GAL 0.418919 0.702128
294 NGT GAL 0.41791 0.66
295 GAL NGT 0.41791 0.66
296 P3M 0.41791 0.767442
297 GLC GAL NAG GAL FUC A2G 0.417582 0.673469
298 A2G GAL NAG FUC GAL GLC 0.417582 0.673469
299 TUR 0.416667 0.842105
300 BTU 0.416667 0.842105
301 GLC FRU 0.416667 0.842105
302 GLA MAN ABE 0.414286 0.916667
303 NAG NAG BMA 0.413333 0.634615
304 NAG NDG BMA 0.413333 0.634615
305 ACR GLC GLC GLC GLC 0.4125 0.702128
306 ACR GLC 0.4125 0.702128
307 AHR AHR AHR AHR AHR AHR 0.410714 0.857143
308 FUB AHR AHR 0.410714 0.857143
309 VAM 0.409836 0.868421
310 GLF B8D 0.409836 0.775
311 DAF GLC DAF GLC GLC 0.409639 0.702128
312 ACI GLD GLC ACI G6D BGC 0.409639 0.702128
313 AC1 GLC AC1 BGC 0.409639 0.702128
314 ACI G6D GLC ACI G6D BGC 0.409639 0.702128
315 BGC GLC AC1 GLC GLC GLC AC1 0.409639 0.702128
316 ACI GLD GLC GLC GLC ACI GLD GLC GAL 0.409639 0.702128
317 MAN MMA MAN 0.409091 0.942857
318 FUB AHR 0.407407 0.857143
319 AHR AHR 0.407407 0.857143
320 G6D GLC ACI GLD GLC ACI GLD GLC BGC 0.406977 0.653061
321 4U0 0.406593 0.66
322 BGC BGC SSG PIH 0.405063 0.767442
323 GLA MAN RAM ABE 0.405063 0.891892
324 G1P 0.403846 0.697674
325 GL1 0.403846 0.697674
326 XGP 0.403846 0.697674
327 M1P 0.403846 0.697674
328 GLC IFM 0.403226 0.727273
329 MAN IFM 0.403226 0.727273
330 MAN MAN MAN MAN MAN MAN MAN 0.402597 1
331 XZZ BGC BGC 0.402439 0.702128
332 ACG 0.402299 0.695652
333 FUC GAL 0.4 0.941176
Ligand no: 2; Ligand: GAL GLC; 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 : 2PEL; Ligand: LAT; Similar sites found with APoc: 104
This union binding pocket(no: 1) in the query (biounit: 2pel.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 1L3I SAH None
2 5UFC DR2 1.27119
3 1PJS NAD 1.69492
4 3MKH FAD 1.69492
5 3E3U NVC 2.03046
6 4WKB TDI 2.11864
7 4WKC BIG 2.11864
8 5GLN XYS 2.11864
9 5GLN XYP XYP XYP 2.11864
10 3WGC PLG 2.11864
11 1JBW ACQ 2.11864
12 4XDA RIB 2.11864
13 3BL6 FMC 2.17391
14 4BMX ADE 2.54237
15 4FFS BIG 2.54237
16 1IIM TTP 2.54237
17 1VP5 NAP 2.54237
18 1ZEM NAD 2.54237
19 3AXX CBI 2.54237
20 6AYR BIG 2.9661
21 4LNL 2BK 2.9661
22 4LNL 2BO 2.9661
23 5FFF NAP 2.9661
24 5E58 CPZ 2.9661
25 5KF6 FAD 2.9661
26 4NBU CAA 2.9661
27 4C2V YJA 2.9661
28 3RGA LSB 2.9661
29 4WOH 4NP 3.01205
30 5WZU 7W3 3.25203
31 4X6I 3Y1 3.25581
32 3QKD HI0 3.31492
33 1W85 TDP 3.38983
34 5WS9 AMP 3.38983
35 5UAV NDP 3.81356
36 5UAV TFB 3.81356
37 3GEG NAD 3.81356
38 5K4W THR 3.81356
39 1S8G DAO 4.13223
40 3C8Z 5CA 4.23729
41 3U9Z ADP 4.23729
42 3H8C NSZ 4.54545
43 2YVJ NAI 4.58716
44 6GL8 F3Q 4.65116
45 3DR4 G4M 4.66102
46 3VZS CAA 4.66102
47 3VZS NAP 4.66102
48 2UZ1 TPP 4.66102
49 4FE3 U5P 4.66102
50 3V1Y NAD 4.66102
51 5KY3 GFB 5
52 1IR2 CAP 5
53 2XOC ADE 5.08475
54 1DL5 SAH 5.08475
55 4XFR CIT 5.50847
56 5JCZ GDP 5.58659
57 1JQ9 PHE LEU SER TYR LYS 5.78512
58 5WKC FAD 5.9322
59 2HIM ASN 5.9322
60 4DV8 0LX 5.9322
61 2XNJ NAP 5.9322
62 3EYA FAD 5.9322
63 1AE1 NAP 5.9322
64 2CUN 3PG 6.35593
65 2FF6 ATP 6.66667
66 1UP7 NAD 6.77966
67 3LN9 FLC 7.19424
68 4DP3 NDP 7.20339
69 4DP3 MMV 7.20339
70 4R5Z SIN 7.20339
71 2AE2 NAP 7.20339
72 2AE2 PTO 7.20339
73 3CIF NAD 7.20339
74 3CIF G3H 7.20339
75 3LKF PC 7.62712
76 5UR0 NAD 7.62712
77 5TQZ GLC 8
78 5MW4 5JU 8.05085
79 3VP6 HLD 8.05085
80 2YG3 FAD 8.05085
81 6C8X BVR 8.08081
82 4NV0 MG7 8.47458
83 5YU3 NAD 8.8983
84 5YU3 PRO 8.8983
85 1ZOS MTM 9.13043
86 2J4K U5P 9.29204
87 6H3O FAD 9.32203
88 3AHC TPP 9.32203
89 3EPO MP5 9.74576
90 1U9Q 186 10.2326
91 5N9Z CAP 10.5932
92 4U7W NDP 11.8644
93 3C6K MTA 11.8644
94 3C6K SPD 11.8644
95 4UCF GLA 11.8644
96 4RNV HBA 13.1356
97 5YSQ INS 13.5593
98 3ORF NAD 13.5593
99 4XF6 ADP 19.4915
100 4XF6 LIP 19.4915
101 4XF6 INS 19.4915
102 3LF0 ATP 20.1754
103 2GUE NAG 24.5902
104 2DUR MAN MAN 31.3559
Pocket No.: 2; Query (leader) PDB : 2PEL; Ligand: LBT; Similar sites found with APoc: 96
This union binding pocket(no: 2) in the query (biounit: 2pel.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 1ELR ACE MET GLU GLU VAL ASP None
2 5UFC DR2 1.27119
3 1PJS NAD 1.69492
4 2ZKJ ADP 1.69492
5 2RHW C0E 1.69492
6 3E3U NVC 2.03046
7 4WKB TDI 2.11864
8 5GLN XYS 2.11864
9 5GLN XYP XYP XYP 2.11864
10 3WGC PLG 2.11864
11 1VJO PLP 2.11864
12 3BL6 FMC 2.17391
13 1H5T DAU 2.54237
14 3JU6 ARG 2.54237
15 4FFS BIG 2.54237
16 4BMX ADE 2.54237
17 1IIM TTP 2.54237
18 1H5R G1P 2.54237
19 3AXX CBI 2.54237
20 3OID NDP 2.54237
21 2Q7D ANP 2.54237
22 5FFF NAP 2.9661
23 4LNL 2BK 2.9661
24 4LNL 2BO 2.9661
25 4LNL PLG 2.9661
26 5E58 CPZ 2.9661
27 4XFM THE 2.9661
28 1ELU PDA 2.9661
29 6AYR BIG 2.9661
30 5FEU NAP 2.9661
31 4WOH 4NP 3.01205
32 4X6I 3Y1 3.25581
33 3NUB UD0 3.38983
34 5GT9 NAP 3.38983
35 3WDM ADN 3.38983
36 2C6Q NDP 3.38983
37 4C4P GNP 3.46821
38 1B9I PXG 3.60825
39 5UAV NDP 3.81356
40 5UAV TFB 3.81356
41 1LW4 TLP 4.23729
42 1LW4 PLP 4.23729
43 1KYZ SAH 4.23729
44 1NVT NAP 4.23729
45 4IJR NDP 4.23729
46 3DR4 G4M 4.66102
47 3V1Y NAD 4.66102
48 2C0U FAD NBT 4.66102
49 1IR2 CAP 5
50 2XOC ADE 5.08475
51 1GEX PLP HSA 5.08475
52 3IHG FAD 5.08475
53 4XFR CIT 5.50847
54 4EFH ADP 5.50847
55 1MHW BP4 CYS DAR TYR PEA 5.71429
56 1QO8 FAD 5.9322
57 1AE1 NAP 5.9322
58 3FRK TQP 5.9322
59 1LLU NAD 5.9322
60 2HIM ASN 5.9322
61 5K8B PDG 5.9322
62 2D7C GTP 5.98802
63 2CUN 3PG 6.35593
64 6AMI TRP 6.77966
65 4GKV NAD 6.77966
66 2OJW ADP 6.77966
67 2AE2 NAP 7.20339
68 2AE2 PTO 7.20339
69 4R5Z SIN 7.20339
70 3CIF NAD 7.20339
71 3CIF G3H 7.20339
72 1RBL CAP 7.33945
73 5UR0 NAD 7.62712
74 3LKF PC 7.62712
75 5TQZ GLC 8
76 3VP6 HLD 8.05085
77 5YU3 PRO 8.8983
78 5YU3 NAD 8.8983
79 3QWI NAP 8.8983
80 1ZOS MTM 9.13043
81 2J4K U5P 9.29204
82 6H3O FAD 9.32203
83 5U23 TQP 9.32203
84 2B4R NAD 10.1695
85 2B4R AES 10.1695
86 1U9Q 186 10.2326
87 2VYN NAD 12.2881
88 4RNV HBA 13.1356
89 5YSQ INS 13.5593
90 2V6A CAP 13.5593
91 2V68 CAP 13.5593
92 5TCI 79V 14.4068
93 5ICE SAH 16.5254
94 2GUE NAG 24.5902
95 2NU5 NAG 24.5902
96 2NUO BGC 24.5902
Pocket No.: 3; Query (leader) PDB : 2PEL; Ligand: LBT; Similar sites found with APoc: 60
This union binding pocket(no: 3) in the query (biounit: 2pel.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 4C0X FMN 1.97044
2 4WKC BIG 2.11864
3 4XDA RIB 2.11864
4 2PID YSA 2.11864
5 1ZEM NAD 2.54237
6 1IY8 NAD 2.54237
7 4PXL NAD 2.54237
8 4RHE FMN 2.87081
9 3E8N ATP 2.9661
10 3E8N VRA 2.9661
11 5FFF 5XC 2.9661
12 4NBU CAA 2.9661
13 2ART LPA AMP 2.9661
14 5WZU 7W3 3.25203
15 6MPT C30 3.38983
16 2QE0 NAP 3.38983
17 3GEG NAD 3.81356
18 3MF2 AMP 3.81356
19 1J5P NAD 3.81356
20 4M0R 644 3.95778
21 3C8Z 5CA 4.23729
22 4H03 LAR 4.23729
23 4H03 ATP 4.23729
24 1GEG NAD 4.23729
25 3A5Z KAA 4.23729
26 1ECE BGC BGC BGC BGC 4.23729
27 2YVJ NAI 4.58716
28 3VZS CAA 4.66102
29 3VZS NAP 4.66102
30 1WDD CAP 4.66102
31 3E9I XAH 4.66102
32 1YP4 ADP 4.66102
33 2V67 CAP 5
34 2VDH CAP 5
35 3THR C2F 5.08475
36 2RAB FAD 5.08475
37 4TVD BGC 5.08475
38 1BDB NAD 5.9322
39 5WKC FAD 5.9322
40 2XNJ NAP 5.9322
41 4F7E 0SH 6.12245
42 1HKU NAD 6.35593
43 5NC1 NAG 6.77966
44 6AU6 GDP 6.77966
45 5EOU ATP 6.98925
46 4DP3 NDP 7.20339
47 4DP3 MMV 7.20339
48 1J3I NDP 7.20339
49 5MW4 5JU 8.05085
50 1UPA TPP 8.8983
51 3AHC TPP 9.32203
52 2V1O COA 9.93377
53 5N9Z CAP 10.5932
54 4AOA IK2 10.5932
55 4U7W NDP 11.8644
56 1RM6 PCD 13.0435
57 3ORF NAD 13.5593
58 4FN4 NAD 14.4068
59 4IEN GDP 21.4724
60 2DUR MAN MAN 31.3559
Pocket No.: 4; Query (leader) PDB : 2PEL; Ligand: LBT; Similar sites found with APoc: 53
This union binding pocket(no: 4) in the query (biounit: 2pel.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 1L3I SAH None
2 4C0X AQN 1.97044
3 4ORM ORO 2.11864
4 4ORM FMN 2.11864
5 4ORM 2V6 2.11864
6 5I60 67W 2.11864
7 3ITJ CIT 2.11864
8 4DEC UDP 2.54237
9 4DEC 3PG 2.54237
10 2HHP FLC 2.54237
11 1VP5 NAP 2.54237
12 2PT9 S4M 2.9661
13 3RGA LSB 2.9661
14 5KF6 FAD 2.9661
15 4R8L ASP 2.9661
16 1AFS NAP 3.38983
17 5WS9 AMP 3.38983
18 3SWG EPZ 3.38983
19 5THZ SAH 3.81356
20 4CW5 FMN 3.81356
21 5DEP UD1 3.81356
22 1S8G DAO 4.13223
23 3UCL NAP 4.23729
24 6GAR FAD 4.23729
25 4B1X ATP 4.23729
26 3U9Z ADP 4.23729
27 6GL8 F3Q 4.65116
28 4FE3 U5P 4.66102
29 5XVG 8FX 4.66102
30 1DJ9 KAM 4.66102
31 3IES M24 5.08475
32 1A5Z FBP 5.08475
33 1UZD CAP 5.22388
34 5JCZ GDP 5.58659
35 1JQ9 PHE LEU SER TYR LYS 5.78512
36 2HV8 GTP 5.81395
37 2HIM ASP 5.9322
38 2QTZ NAP 5.9322
39 1UP7 NAD 6.77966
40 3LN9 FLC 7.19424
41 5GM9 CBK 7.51174
42 3KRB NAP 8.05085
43 4MUS LY0 8.05687
44 4MUS 2D8 8.05687
45 3EPO MP5 9.74576
46 2X3J X3J 10.1695
47 5U6V 7WY 10.9091
48 4R38 RBF 11.4286
49 1E1O LYS 18.6441
50 4XF6 ADP 19.4915
51 4XF6 LIP 19.4915
52 4XF6 INS 19.4915
53 2RHQ GAX 19.4915
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