-->
Receptor
PDB id Resolution Class Description Source Keywords
2DVA 2.2 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF PEANUT LECTIN GAL-BETA-1,3-GALNAC- ALPHA-O-ME (METHYL-T-ANTIGEN) COMPLEX ARACHIS HYPOGAEA LEGUME LECTIN AGGLUTININ OPEN QUATERNARY STRUCTURE CARBOHYDRATE SPECIFICITY SUGAR BINDING PROTEIN
Ref.: STRUCTURAL STUDIES ON PEANUT LECTIN COMPLEXED WITH DISACCHARIDES INVOLVING DIFFERENT LINKAGES: FURTHER INSIGHTS INTO THE STRUCTURE AND INTERACTIONS OF THE LECTIN ACTA CRYSTALLOGR.,SECT.D V. 62 1413 2006
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 MGC A:239;
B:239;
C:239;
D:239;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
397.377 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...
SO4 B:2236;
C:1236;
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
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 MGC; Similar ligands found: 231
No: Ligand ECFP6 Tc MDL keys Tc
1 GAL MGC 1 1
2 A2G GAL 0.666667 0.957447
3 GAL A2G 0.666667 0.957447
4 GAL NGA 0.666667 0.957447
5 MAG FUC GAL 0.632353 0.979167
6 GAL SER A2G 0.623188 0.849057
7 NGA SER GAL 0.623188 0.849057
8 GAL TNR 0.623188 0.849057
9 A2G SER GAL 0.623188 0.849057
10 EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM 0.617284 0.94
11 GAL A2G THR 0.605634 0.884615
12 GAL A2G MBN 0.597222 0.918367
13 NPO A2G GAL 0.594595 0.692308
14 GAL A2G NPO 0.594595 0.692308
15 BGC GAL NAG GAL 0.589041 0.957447
16 GAL NAG GAL GLC 0.589041 0.957447
17 2F8 0.578947 0.93617
18 MAG 0.578947 0.93617
19 GAL NDG 0.5625 0.957447
20 NLC 0.5625 0.957447
21 NDG GAL 0.5625 0.957447
22 8VZ 0.5625 0.92
23 M13 0.559322 0.744681
24 MDM 0.559322 0.744681
25 GAL MBG 0.559322 0.744681
26 GAL NGA GLA BGC GAL 0.558442 0.957447
27 CG3 A2G GAL 0.551282 0.681818
28 MAN BMA NAG 0.535211 0.957447
29 GLA GAL NAG 0.535211 0.957447
30 GLA MBG 0.534483 0.744681
31 NAG MBG 0.514706 1
32 NAG BMA 0.514706 0.862745
33 GAL LOG 0.514286 0.775862
34 DR5 0.508197 0.744681
35 MMA MAN 0.508197 0.744681
36 NAG A2G GAL 0.506494 0.938776
37 FUC NDG GAL 0.5 0.978723
38 BQZ 0.5 0.638298
39 GAL NDG FUC 0.5 0.978723
40 1GN ACY GAL ACY 1GN BGC GAL BGC 0.494118 0.938776
41 ACY 1GN GAL 1GN BGC ACY GAL BGC 0.494118 0.938776
42 GAL NGA A2G 0.493151 0.938776
43 GAL NOK 0.486111 0.77193
44 MBG A2G 0.485714 1
45 A2G MBG 0.485714 1
46 SGA MAG FUC 0.481928 0.707692
47 GAL NAG GAL FUC 0.481481 0.978723
48 GLA NAG GAL FUC 0.481481 0.978723
49 NAG GAL GAL NAG GAL 0.481013 0.938776
50 GAL NAG GAL NAG GAL NAG 0.481013 0.92
51 NAG GAL GAL NAG 0.481013 0.938776
52 GAL NAG MAN 0.48 0.957447
53 LAT NAG GAL 0.475 0.957447
54 GLC GAL NAG GAL 0.475 0.957447
55 GAL NAG GAL 0.474359 0.918367
56 TRE 0.471698 0.702128
57 NAG NGA 0.471429 0.938776
58 NAG A2G 0.471429 0.938776
59 NAG BDP NAG BDP NAG BDP NAG 0.470588 0.901961
60 GAL FUC 0.46875 0.702128
61 FUC NAG GAL 0.467532 0.901961
62 DR3 0.467532 0.978723
63 THR NGA GAL NAG 0.465909 0.884615
64 MMA 0.462963 0.680851
65 GYP 0.462963 0.680851
66 AMG 0.462963 0.680851
67 MBG 0.462963 0.680851
68 NAG NM9 0.461538 0.921569
69 GAL GC2 0.461538 0.666667
70 GAL NAG GAL BGC 0.457831 0.918367
71 GLA GAL NAG FUC GAL GLC 0.456522 0.978723
72 GAL BGC NAG GAL 0.455696 0.957447
73 NAG MAN MMA 0.454545 1
74 G4S MAG FUC 0.452381 0.707692
75 NAG BDP 0.452055 0.88
76 M3M 0.451613 0.702128
77 LB2 0.451613 0.702128
78 MAN GLC 0.451613 0.702128
79 NGR 0.451613 0.702128
80 MAN MMA MAN 0.450704 0.744681
81 NAG NDG BMA 0.45 0.867925
82 NAG NAG BMA 0.45 0.867925
83 FUC GAL NAG GAL BGC 0.449438 0.978723
84 GLC NAG GAL GAL FUC 0.449438 0.978723
85 GAL GLC NAG GAL FUC 0.449438 0.978723
86 NAG GAL BGC 0.443038 0.957447
87 FUC NAG GLA GAL 0.44186 0.958333
88 CGC 0.441176 0.702128
89 LEC NGA 0.440476 0.707692
90 GLC BGC BGC BGC BGC BGC BGC 0.439394 0.702128
91 GLA EGA 0.439394 0.708333
92 BGC BGC BGC GLC BGC BGC 0.439394 0.702128
93 NAG NAG BMA MAN 0.436782 0.867925
94 GLA GLA FUC 0.43662 0.723404
95 GAL GAL FUC 0.43662 0.723404
96 GLA GAL FUC 0.43662 0.723404
97 NAG GAL 0.43662 0.957447
98 FUC GAL GLA 0.43662 0.723404
99 FUC GLA GLA 0.43662 0.723404
100 GAL NAG 0.43662 0.957447
101 2M4 0.435484 0.702128
102 LAT GLA 0.435484 0.702128
103 GLA MMA ABE 0.434211 0.734694
104 NGA GLA GAL BGC 0.433735 0.957447
105 BGC BGC 0.430769 0.653061
106 BMA BMA 0.430769 0.653061
107 FUC BGC GAL 0.430556 0.723404
108 NGA GAL FUC 0.43038 0.978723
109 A2G GAL FUC 0.43038 0.978723
110 FUC GAL A2G 0.43038 0.978723
111 A2G GLA FUC 0.43038 0.978723
112 FUC GLA A2G 0.43038 0.978723
113 GLA GLA 0.428571 0.702128
114 GLC GAL 0.428571 0.702128
115 BGC BMA 0.428571 0.702128
116 MAL 0.428571 0.702128
117 GLA GAL 0.428571 0.702128
118 B2G 0.428571 0.702128
119 CBI 0.428571 0.702128
120 BGC GAL 0.428571 0.702128
121 LAT 0.428571 0.702128
122 BMA GAL 0.428571 0.702128
123 MAB 0.428571 0.702128
124 N9S 0.428571 0.702128
125 FUC BGC GAL NAG GAL 0.428571 0.978723
126 LBT 0.428571 0.702128
127 CBK 0.428571 0.702128
128 GAL BGC 0.428571 0.702128
129 NGA GAL BGC 0.428571 0.957447
130 MAN MNM 0.426471 0.807692
131 NAG GAL NAG 0.425 0.938776
132 NG1 0.424242 0.724138
133 GN1 0.424242 0.724138
134 GAL SIA NGA GAL 0.421569 0.867925
135 GAL NGA GAL SIA 0.421569 0.851852
136 SIA GAL NGA GAL 0.421569 0.867925
137 NGA GAL 0.418919 0.897959
138 BMA FRU 0.41791 0.615385
139 FRU GAL 0.41791 0.615385
140 G6S NAG 0.417722 0.703125
141 NAG GAL FUC 0.417722 0.978723
142 NDG GAL FUC 0.417722 0.978723
143 FUC GAL NAG 0.417722 0.978723
144 FUC GAL NDG 0.417722 0.978723
145 GAL NAG FUC 0.417722 0.978723
146 DR2 0.417722 0.978723
147 FUL GAL NAG 0.417722 0.978723
148 NAG FUC 0.416667 0.93617
149 8VW 0.41573 0.886792
150 RZM 0.415385 0.698113
151 GLA GAL GAL 0.414286 0.702128
152 FUC NAG 0.413333 0.882353
153 IFM BMA 0.411765 0.685185
154 BMA IFM 0.411765 0.685185
155 IFM BGC 0.411765 0.685185
156 NAG BMA MAN MAN MAN MAN 0.411111 0.957447
157 NAG GDL 0.410959 0.938776
158 NDG NAG 0.410959 0.938776
159 CBS 0.410959 0.938776
160 CBS CBS 0.410959 0.938776
161 WZ3 0.410256 0.729167
162 GC4 NAG 0.410256 0.88
163 FUC BGC GAL NAG 0.409091 0.978723
164 NAG AMU NAG AMV 0.409091 0.921569
165 DOM 0.409091 0.673469
166 GLA GAL BGC 5VQ 0.408451 0.68
167 4RS 0.408451 0.673077
168 GLC DMJ 0.405797 0.703704
169 491 0.405405 0.706897
170 A2G GAL NAG FUC GAL GLC 0.40404 0.92
171 GLC GAL NAG GAL FUC A2G 0.40404 0.92
172 BMA BMA BMA BMA BMA 0.402985 0.702128
173 MAN MAN BMA BMA BMA BMA 0.402985 0.702128
174 MT7 0.402985 0.702128
175 BMA BMA BMA 0.402985 0.702128
176 MTT 0.402985 0.702128
177 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.402985 0.702128
178 CTR 0.402985 0.702128
179 GLA GAL BGC 0.402985 0.702128
180 BGC BGC BGC BGC BGC 0.402985 0.702128
181 BMA MAN BMA 0.402985 0.702128
182 BGC GLC GLC 0.402985 0.702128
183 CE6 0.402985 0.702128
184 GLC BGC BGC BGC 0.402985 0.702128
185 GLC BGC BGC 0.402985 0.702128
186 B4G 0.402985 0.702128
187 CEY 0.402985 0.702128
188 CE5 0.402985 0.702128
189 GLA GAL GLC 0.402985 0.702128
190 CT3 0.402985 0.702128
191 BGC GLC GLC GLC 0.402985 0.702128
192 BGC BGC BGC BGC BGC BGC 0.402985 0.702128
193 GLC GLC BGC 0.402985 0.702128
194 CTT 0.402985 0.702128
195 BGC BGC BGC GLC 0.402985 0.702128
196 U63 0.402985 0.647059
197 GLC BGC BGC BGC BGC BGC 0.402985 0.702128
198 BGC BGC BGC 0.402985 0.702128
199 GLC GAL GAL 0.402985 0.702128
200 CEX 0.402985 0.702128
201 GLC GLC GLC GLC GLC 0.402985 0.702128
202 BMA BMA BMA BMA BMA BMA 0.402985 0.702128
203 MAN BMA BMA BMA BMA BMA 0.402985 0.702128
204 GLC BGC BGC BGC BGC 0.402985 0.702128
205 BGC BGC BGC BGC 0.402985 0.702128
206 DXI 0.402985 0.702128
207 BGC GLC GLC GLC GLC GLC GLC 0.402985 0.702128
208 BGC BGC GLC 0.402985 0.702128
209 GLC BGC GLC 0.402985 0.702128
210 MAN BMA BMA BMA BMA 0.402985 0.702128
211 GAL GAL GAL 0.402985 0.702128
212 CE8 0.402985 0.702128
213 BGC GLC GLC GLC GLC 0.402985 0.702128
214 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.402985 0.702128
215 MLR 0.402985 0.702128
216 MAN BMA BMA 0.402985 0.702128
217 GAL NAG FUC FUC 0.402439 0.958333
218 FUC GAL NAG FUC 0.402439 0.958333
219 FUC GAL NDG FUC 0.402439 0.958333
220 FUC NAG GAL FUC 0.402439 0.958333
221 FUC NDG GAL FUC 0.402439 0.958333
222 BDZ 0.402439 0.958333
223 GAL NDG FUC FUC 0.402439 0.958333
224 BCW 0.402439 0.958333
225 WZ5 0.402174 1
226 NAG MAN 0.4 0.918367
227 ABL 0.4 0.843137
228 NBG 0.4 0.851064
229 BGC GAL NAG GAL FUC FUC 0.4 0.958333
230 A2G GAL BGC FUC 0.4 0.978723
231 GLC GAL NAG GAL FUC FUC 0.4 0.958333
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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