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Receptor
PDB id Resolution Class Description Source Keywords
2TEP 2.5 Å NON-ENZYME: BINDING PEANUT LECTIN COMPLEXED WITH T-ANTIGENIC DISACCHARIDE ARACHIS HYPOGAEA LECTIN LEGUME LECTIN WATER BRIDGES CARBOHYDRATE SPECIFICITY T-ANTIGEN PROTEIN CRYSTALLOGRAPHY AGGLUTININ
Ref.: THE SPECIFICITY OF PEANUT AGGLUTININ FOR THOMSEN-FRIEDENREICH ANTIGEN IS MEDIATED BY WATER-BRIDGES CURR.SCI. V. 72 855 1997
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 NGA A:239;
B:239;
C:239;
D:239;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
383.35 n/a O=C(N...
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 NGA; Similar ligands found: 276
No: Ligand ECFP6 Tc MDL keys Tc
1 GAL NGA 1 1
2 A2G GAL 1 1
3 GAL A2G 1 1
4 NAG A2G 0.716667 0.9375
5 NAG NGA 0.716667 0.9375
6 NAG BDP 0.68254 0.916667
7 NAG A2G GAL 0.681159 0.9375
8 GAL MGC 0.666667 0.957447
9 DR3 0.661765 0.978261
10 NDG GAL 0.639344 1
11 GAL NDG 0.639344 1
12 NLC 0.639344 1
13 1GN ACY GAL ACY 1GN BGC GAL BGC 0.628205 0.9375
14 ACY 1GN GAL 1GN BGC ACY GAL BGC 0.628205 0.9375
15 GC4 NAG 0.617647 0.916667
16 GAL NDG FUC 0.608696 0.978261
17 FUC NDG GAL 0.608696 0.978261
18 UCD 0.585714 0.897959
19 NAG BDP NAG BDP NAG BDP NAG 0.582278 0.9
20 MAN BMA NAG 0.57971 1
21 GLA GAL NAG 0.57971 1
22 NGA GCD 0.577465 0.88
23 NAG GAD 0.577465 0.88
24 GAD NDG 0.577465 0.88
25 GCD NGA 0.577465 0.88
26 GAL NAG GAL GLC 0.567568 1
27 BGC GAL NAG GAL 0.567568 1
28 8VZ 0.5625 0.918367
29 NGA SER GAL 0.555556 0.882353
30 GAL TNR 0.555556 0.882353
31 GAL SER A2G 0.555556 0.882353
32 A2G SER GAL 0.555556 0.882353
33 GAL A2G MBN 0.554054 0.957447
34 GAL A2G THR 0.540541 0.882353
35 AMU 0.539683 0.87234
36 GAL NGA GLA BGC GAL 0.538462 1
37 NAG BMA 0.537313 0.897959
38 LB2 0.525424 0.733333
39 NGR 0.525424 0.733333
40 M3M 0.525424 0.733333
41 MAN GLC 0.525424 0.733333
42 GAL NAG MAN 0.520548 1
43 GAL NAG GAL NAG GAL NAG 0.519481 0.918367
44 NAG GAL GAL NAG 0.519481 0.9375
45 NAG GAL GAL NAG GAL 0.519481 0.9375
46 GAL LOG 0.514286 0.803571
47 GAL BGC NAG GAL 0.513158 1
48 NPO A2G GAL 0.512821 0.714286
49 GAL A2G NPO 0.512821 0.714286
50 2M4 0.508475 0.733333
51 GLA NAG GAL FUC 0.5 0.978261
52 NAG GAL 0.5 1
53 GAL NAG 0.5 1
54 GAL NAG GAL FUC 0.5 0.978261
55 MAG FUC GAL 0.5 0.9375
56 NAG BDP NAG BDP 0.494382 0.849057
57 CG3 A2G GAL 0.493827 0.703125
58 GLC GAL NAG GAL 0.493671 1
59 LAT NAG GAL 0.493671 1
60 FUC NAG GAL FUC 0.493506 0.957447
61 GAL NAG GAL 0.493506 0.957447
62 GAL NDG FUC FUC 0.493506 0.957447
63 FUC NDG GAL FUC 0.493506 0.957447
64 BDZ 0.493506 0.957447
65 FUC GAL NAG FUC 0.493506 0.957447
66 BCW 0.493506 0.957447
67 GAL NAG FUC FUC 0.493506 0.957447
68 FUC GAL NDG FUC 0.493506 0.957447
69 GAL NGA A2G 0.493151 0.9375
70 NGA 0.491228 0.888889
71 HSQ 0.491228 0.888889
72 BM3 0.491228 0.888889
73 NAG 0.491228 0.888889
74 NDG 0.491228 0.888889
75 A2G 0.491228 0.888889
76 GAL NOK 0.486111 0.8
77 BGC BGC BGC GLC BGC BGC 0.484375 0.733333
78 GLC BGC BGC BGC BGC BGC BGC 0.484375 0.733333
79 FUC GAL GLA 0.478261 0.755556
80 FUC GLA GLA 0.478261 0.755556
81 SIA GAL A2G 0.478261 0.865385
82 GLA GLA FUC 0.478261 0.755556
83 GLA GAL FUC 0.478261 0.755556
84 GAL GAL FUC 0.478261 0.755556
85 NGA GAL SIA 0.478261 0.865385
86 MAL 0.47541 0.733333
87 N9S 0.47541 0.733333
88 B2G 0.47541 0.733333
89 LAT 0.47541 0.733333
90 BGC BMA 0.47541 0.733333
91 GLC GAL 0.47541 0.733333
92 CBK 0.47541 0.733333
93 BGC GAL 0.47541 0.733333
94 GLA GLA 0.47541 0.733333
95 GAL BGC 0.47541 0.733333
96 BMA GAL 0.47541 0.733333
97 MAB 0.47541 0.733333
98 GLA GAL 0.47541 0.733333
99 LBT 0.47541 0.733333
100 CBI 0.47541 0.733333
101 BQZ 0.473684 0.666667
102 G6S NAG 0.473684 0.725806
103 NAG BDP NAG BDP NAG BDP 0.473118 0.865385
104 TRE 0.471698 0.733333
105 NDG NAG 0.471429 0.9375
106 NAG GDL 0.471429 0.9375
107 CBS 0.471429 0.9375
108 CBS CBS 0.471429 0.9375
109 GAL FUC 0.46875 0.733333
110 NAG NAG BMA 0.468354 0.865385
111 NAG NDG BMA 0.468354 0.865385
112 NGA GAL FUC 0.467532 0.978261
113 FUC NAG GAL 0.467532 0.9
114 A2G GAL FUC 0.467532 0.978261
115 FUC GLA A2G 0.467532 0.978261
116 FUC GAL A2G 0.467532 0.978261
117 A2G GLA FUC 0.467532 0.978261
118 NGA GAL BGC 0.466667 1
119 CGC 0.462687 0.733333
120 NAG GAL BGC 0.461538 1
121 NAG GAL NAG 0.461538 0.9375
122 M13 0.460317 0.73913
123 GAL MBG 0.460317 0.73913
124 MDM 0.460317 0.73913
125 NAG BMA MAN MAN MAN MAN 0.45977 1
126 GLA MBG 0.459016 0.73913
127 GAL NAG GAL BGC 0.457831 0.957447
128 NAG FUC 0.457143 0.934783
129 FUL GAL NAG 0.454545 0.978261
130 DR2 0.454545 0.978261
131 FUC GAL NDG 0.454545 0.978261
132 GAL NAG FUC 0.454545 0.978261
133 NDG GAL FUC 0.454545 0.978261
134 NAG GAL FUC 0.454545 0.978261
135 FUC GAL NAG 0.454545 0.978261
136 MAG 0.451613 0.893617
137 2F8 0.451613 0.893617
138 NGA GLA GAL BGC 0.451219 1
139 FUC BGC GAL 0.450704 0.755556
140 NAG AMU 0.45 0.9
141 NAG MUB 0.45 0.9
142 BMA MAN MAN MAN 0.449275 0.733333
143 GLC BGC BGC BGC BGC BGC 0.446154 0.733333
144 CT3 0.446154 0.733333
145 BGC BGC BGC BGC BGC BGC 0.446154 0.733333
146 BGC GLC GLC GLC 0.446154 0.733333
147 CEX 0.446154 0.733333
148 GLC BGC GLC 0.446154 0.733333
149 GLC BGC BGC BGC 0.446154 0.733333
150 MAN BMA BMA BMA BMA BMA 0.446154 0.733333
151 BGC GLC GLC GLC GLC GLC GLC 0.446154 0.733333
152 BGC BGC GLC 0.446154 0.733333
153 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.446154 0.733333
154 MAN BMA BMA BMA BMA 0.446154 0.733333
155 MAN BMA BMA 0.446154 0.733333
156 GLC BGC BGC 0.446154 0.733333
157 CEY 0.446154 0.733333
158 BGC GLC GLC 0.446154 0.733333
159 GLC GLC BGC 0.446154 0.733333
160 BGC GLC GLC GLC GLC 0.446154 0.733333
161 CTT 0.446154 0.733333
162 MAN MAN BMA BMA BMA BMA 0.446154 0.733333
163 BMA BMA BMA BMA BMA BMA 0.446154 0.733333
164 GLA GAL GLC 0.446154 0.733333
165 MLR 0.446154 0.733333
166 GAL GAL GAL 0.446154 0.733333
167 BGC BGC BGC 0.446154 0.733333
168 GLC GLC GLC GLC GLC 0.446154 0.733333
169 B4G 0.446154 0.733333
170 BGC BGC BGC BGC 0.446154 0.733333
171 CE5 0.446154 0.733333
172 BMA BMA BMA 0.446154 0.733333
173 MTT 0.446154 0.733333
174 DXI 0.446154 0.733333
175 GLC BGC BGC BGC BGC 0.446154 0.733333
176 CTR 0.446154 0.733333
177 BGC BGC BGC BGC BGC 0.446154 0.733333
178 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.446154 0.733333
179 GLA GAL BGC 0.446154 0.733333
180 U63 0.446154 0.673469
181 BGC BGC BGC GLC 0.446154 0.733333
182 CE6 0.446154 0.733333
183 BMA MAN BMA 0.446154 0.733333
184 CE8 0.446154 0.733333
185 MT7 0.446154 0.733333
186 BMA BMA BMA BMA BMA 0.446154 0.733333
187 GLC GAL GAL 0.446154 0.733333
188 NAG NAG NAG NAG NAG NAG 0.445946 0.918367
189 CTO 0.445946 0.918367
190 NDG NAG NAG NAG 0.445946 0.918367
191 NDG NAG NAG 0.445946 0.918367
192 NAG NAG NAG NAG NDG 0.445946 0.918367
193 NAG NAG NAG NDG 0.445946 0.918367
194 NAG NAG NAG NAG NAG NAG NAG NAG 0.445946 0.918367
195 NDG NAG NAG NDG 0.445946 0.918367
196 NAG NAG NDG NAG 0.445946 0.918367
197 NAG NAG NAG NAG NAG 0.445946 0.918367
198 NAG NAG NDG 0.445946 0.918367
199 NAG NAG BMA MAN MAN 0.444444 0.9375
200 GAL GC2 0.443038 0.6875
201 NAG MAN BMA 0.441558 1
202 GLA GAL NAG FUC GAL GLC 0.44086 0.978261
203 EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM 0.43956 0.9
204 GLA EGA 0.439394 0.73913
205 NGA GAL 0.438356 0.93617
206 NAG GAL FUC FUC A2G 0.438202 0.918367
207 FUC GAL NAG A2G FUC 0.438202 0.918367
208 T6P 0.4375 0.6
209 DR5 0.4375 0.73913
210 MMA MAN 0.4375 0.73913
211 NAG NAG BMA MAN 0.436782 0.865385
212 LAT GLA 0.435484 0.733333
213 GLA GAL GAL 0.434783 0.733333
214 FUC GAL NAG GAL BGC 0.433333 0.978261
215 THR NGA GAL NAG 0.433333 0.882353
216 GLC NAG GAL GAL FUC 0.433333 0.978261
217 GAL GLC NAG GAL FUC 0.433333 0.978261
218 IFM BMA 0.432836 0.711538
219 MAN MAN BMA 0.432836 0.733333
220 BMA IFM 0.432836 0.711538
221 IFM BGC 0.432836 0.711538
222 BMA BMA MAN 0.432836 0.733333
223 BMA BMA 0.430769 0.680851
224 BGC BGC 0.430769 0.680851
225 NAG MBG 0.430556 0.957447
226 BMA NAG MAN MAN MAN MAN MAN MAN MAN 0.430108 1
227 FUC BGC GAL NAG GAL 0.428571 0.978261
228 MAN MNM 0.426471 0.84
229 FMO 0.426471 0.66
230 FUC NAG GLA GAL 0.425287 0.957447
231 MBG A2G 0.424658 0.957447
232 A2G MBG 0.424658 0.957447
233 GN1 0.424242 0.75
234 NG1 0.424242 0.75
235 MAN BMA MAN 0.422535 0.733333
236 P3M 0.418919 0.6
237 NG6 GCD 0.416667 0.661538
238 GCD NG6 0.416667 0.661538
239 UNU GAL NAG 0.416667 0.918367
240 MAN BMA NAG NAG MAN NAG GAL GAL 0.416667 0.918367
241 NAG MAN MAN MAN NAG GAL NAG GAL 0.416667 0.918367
242 GLA MAN ABE 0.415584 0.723404
243 RZM 0.415385 0.72549
244 SIA 2FG NAG 0.414141 0.803571
245 FUC NAG 0.413333 0.88
246 BGC OXZ 0.411765 0.672727
247 9MR 0.411765 0.74
248 BGC BGC BGC BGC BGC BGC BGC BGC 0.410959 0.733333
249 3QL 0.410256 0.865385
250 DOM 0.409091 0.702128
251 FUC BGC GAL NAG 0.409091 0.978261
252 FUC GAL NAG GAL FUC 0.409091 0.957447
253 4RS 0.408451 0.7
254 NAG NDG 0.407895 0.846154
255 NAG NAG 0.407895 0.846154
256 SIA GAL NGA GAL 0.407767 0.865385
257 GAL SIA NGA GAL 0.407767 0.865385
258 SIA NAG GAL GAL 0.407767 0.849057
259 SNG 0.40625 0.816327
260 NAG MAN BMA MAN NAG GAL 0.40625 0.9375
261 NOY BGC 0.405797 0.84
262 MAN MAN MAN GLC 0.405405 0.733333
263 L42 0.404762 0.646154
264 ASG GCD 0.404762 0.671875
265 XYT 0.402778 0.6
266 TCG 0.402439 0.775862
267 NAG MAN MAN 0.402439 1
268 GLC GLC XYP 0.4 0.733333
269 8VW 0.4 0.849057
270 NBG 0.4 0.888889
271 NAG MAN 0.4 0.957447
272 A2G GAL NAG FUC 0.4 0.918367
273 A2G GAL BGC FUC 0.4 0.978261
274 GLC 7LQ 0.4 0.659574
275 FUC GAL NAG A2G 0.4 0.918367
276 ABL 0.4 0.877551
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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