Receptor
PDB id Resolution Class Description Source Keywords
3PUV 2.4 Å EC: 3.6.3.19 CRYSTAL STRUCTURE OF AN OUTWARD-FACING MBP-MALTOSE TRANSPORT BOUND TO ADP-VO4 ESCHERICHIA COLI ATP BINDING CASSETTE NUCLEOTIDE BINDING DOMAIN SUBSTRATE BPROTEIN ABC TRANSPORTER IMPORTER ATPASE ATP BINDING MALTODEXTRIN BINDING TRANSMEMBRANE INTEGRAL MEMBRANE HYDRTRANSPORT PROTEIN COMPLEX
Ref.: SNAPSHOTS OF THE MALTOSE TRANSPORTER DURING ATP HYD PROC.NATL.ACAD.SCI.USA V. 108 15152 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ADP VO4 B:2502;
A:2501;
Valid;
Valid;
none;
none;
submit data
540.125 n/a [V](O...
MAL F:2000;
Valid;
none;
submit data
342.296 C12 H22 O11 C([C@...
MG A:1501;
B:1502;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
PGV F:4001;
F:4002;
F:4008;
F:4010;
G:4003;
G:4004;
G:4005;
G:4006;
G:4007;
G:4009;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
749.007 C40 H77 O10 P CCCCC...
UMQ F:5004;
Invalid;
none;
submit data
496.589 C23 H44 O11 CCCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3RLF 2.2 Å EC: 3.6.3.19 CRYSTAL STRUCTURE OF THE MALTOSE-BINDING PROTEIN/MALTOSE TRA COMPLEX IN AN OUTWARD-FACING CONFORMATION BOUND TO MGAMPPNP ESCHERICHIA COLI INTEGRAL MEMBRANE PROTEIN ATPASE ABC TRANSPORTER MEMBRANETRANSMEMBRANE HYDROLASE-TRANSPORT PROTEIN COMPLEX
Ref.: SNAPSHOTS OF THE MALTOSE TRANSPORTER DURING ATP HYD PROC.NATL.ACAD.SCI.USA V. 108 15152 2011
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3RLF - MAL C12 H22 O11 C([C@@H]1[....
2 3PUV - MAL C12 H22 O11 C([C@@H]1[....
3 3PUW - MAL C12 H22 O11 C([C@@H]1[....
4 3PUX - MAL C12 H22 O11 C([C@@H]1[....
5 4KI0 - GLC GLC GLC GLC n/a n/a
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3RLF - MAL C12 H22 O11 C([C@@H]1[....
2 3PUV - MAL C12 H22 O11 C([C@@H]1[....
3 3PUW - MAL C12 H22 O11 C([C@@H]1[....
4 3PUX - MAL C12 H22 O11 C([C@@H]1[....
5 4KI0 - GLC GLC GLC GLC n/a n/a
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3RLF - MAL C12 H22 O11 C([C@@H]1[....
2 3PUV - MAL C12 H22 O11 C([C@@H]1[....
3 3PUW - MAL C12 H22 O11 C([C@@H]1[....
4 3PUX - MAL C12 H22 O11 C([C@@H]1[....
5 4KI0 - GLC GLC GLC GLC n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ADP VO4; Similar ligands found: 304
No: Ligand ECFP6 Tc MDL keys Tc
1 ADP VO4 1 1
2 VO4 ADP 1 1
3 ADP PO3 0.790123 0.957747
4 ALF ADP 0.752941 0.907895
5 ADP ALF 0.752941 0.907895
6 ADP BMA 0.695652 0.906667
7 GAP 0.689655 0.906667
8 ATP A A A 0.677083 0.944444
9 AMP 0.675 0.930556
10 A 0.675 0.930556
11 A2D 0.670732 0.931507
12 ADP 0.666667 0.931507
13 50T 0.662791 0.945205
14 BA3 0.654762 0.931507
15 DAL AMP 0.652174 0.918919
16 M33 0.651163 0.918919
17 ABM 0.650602 0.905405
18 B4P 0.647059 0.931507
19 AP5 0.647059 0.931507
20 AT4 0.639535 0.894737
21 AN2 0.639535 0.918919
22 A12 0.635294 0.894737
23 AP2 0.635294 0.894737
24 AR6 AR6 0.633663 0.931507
25 SAP 0.629214 0.883117
26 AGS 0.629214 0.883117
27 SRA 0.626506 0.881579
28 ACP 0.625 0.906667
29 ATP 0.625 0.931507
30 HEJ 0.625 0.931507
31 AHZ 0.621359 0.829268
32 A A 0.618557 0.931507
33 AR6 0.617977 0.931507
34 AQP 0.617977 0.931507
35 APC 0.617977 0.894737
36 APR 0.617977 0.931507
37 5FA 0.617977 0.931507
38 AU1 0.613636 0.906667
39 ADX 0.613636 0.839506
40 CA0 0.613636 0.906667
41 AD9 0.611111 0.958904
42 AF3 ADP 3PG 0.603774 0.873418
43 PRX 0.6 0.881579
44 T99 0.597826 0.894737
45 ANP 0.597826 0.906667
46 TAT 0.597826 0.894737
47 ACQ 0.597826 0.906667
48 ADV 0.593407 0.894737
49 RBY 0.593407 0.894737
50 MYR AMP 0.59 0.829268
51 ATF 0.585106 0.894737
52 TYR AMP 0.582524 0.883117
53 SRP 0.578947 0.894737
54 6YZ 0.578947 0.906667
55 LMS 0.576471 0.817073
56 5AL 0.574468 0.918919
57 ARG AMP 0.571429 0.819277
58 AMP DBH 0.567308 0.881579
59 A22 0.56701 0.918919
60 MAP 0.56701 0.907895
61 SON 0.566667 0.894737
62 AMP NAD 0.566372 0.918919
63 4TA 0.566372 0.819277
64 5SV 0.561224 0.8375
65 9X8 0.56 0.883117
66 PO4 PO4 A A A A PO4 0.56 0.916667
67 4AD 0.555556 0.907895
68 A3R 0.555556 0.871795
69 LPA AMP 0.555556 0.829268
70 A1R 0.555556 0.871795
71 ADQ 0.555556 0.906667
72 NAJ PZO 0.551724 0.860759
73 9ZD 0.545455 0.871795
74 AOC 0.545455 0.810811
75 OOB 0.545455 0.918919
76 9ZA 0.545455 0.871795
77 25A 0.545455 0.931507
78 8QN 0.545455 0.918919
79 OAD 0.544554 0.906667
80 XYA 0.544304 0.808219
81 ADN 0.544304 0.808219
82 RAB 0.544304 0.808219
83 PAJ 0.54 0.85
84 AMO 0.54 0.894737
85 NAD 0.53913 0.945205
86 5AS 0.538462 0.770115
87 DLL 0.534653 0.918919
88 AHX 0.534653 0.860759
89 00A 0.534653 0.871795
90 3OD 0.533981 0.906667
91 BIS 0.533981 0.871795
92 NAJ PYZ 0.533333 0.819277
93 5N5 0.530864 0.783784
94 A3D 0.529915 0.932432
95 3UK 0.529412 0.906667
96 25L 0.528846 0.918919
97 AFH 0.527778 0.85
98 Z5A 0.52459 0.790698
99 5CD 0.52439 0.794521
100 A4D 0.52439 0.783784
101 PR8 0.524272 0.839506
102 LAD 0.524272 0.85
103 WAQ 0.524272 0.871795
104 B5V 0.524272 0.894737
105 9SN 0.52381 0.860759
106 NAI 0.522523 0.871795
107 G5A 0.520833 0.770115
108 TXA 0.519231 0.894737
109 FYA 0.519231 0.893333
110 NB8 0.519231 0.860759
111 1ZZ 0.519231 0.829268
112 JB6 0.519231 0.871795
113 PTJ 0.519231 0.860759
114 ME8 0.519231 0.829268
115 TXE 0.517857 0.871795
116 DTA 0.517647 0.776316
117 G A A A 0.512821 0.860759
118 NAE 0.512397 0.907895
119 A3P 0.51087 0.930556
120 PAP 0.510417 0.917808
121 4UV 0.509259 0.883117
122 NAX 0.508929 0.839506
123 NAQ 0.508197 0.884615
124 EP4 0.505882 0.74359
125 FA5 0.504673 0.894737
126 B5Y 0.504673 0.883117
127 YAP 0.504673 0.883117
128 B5M 0.504673 0.883117
129 G3A 0.504587 0.860759
130 ZID 0.504065 0.932432
131 AP0 0.5 0.860759
132 NMN AMP PO4 0.5 0.883117
133 G5P 0.5 0.860759
134 XAH 0.5 0.829268
135 A G 0.5 0.871795
136 4UU 0.5 0.883117
137 M2T 0.5 0.746835
138 3DH 0.5 0.763158
139 U A G G 0.495798 0.871795
140 TXD 0.495575 0.871795
141 GTA 0.495495 0.851852
142 DQV 0.495495 0.918919
143 3AM 0.494382 0.890411
144 MTA 0.494253 0.763158
145 LAQ 0.491071 0.829268
146 TSB 0.490196 0.788235
147 A5A 0.49 0.797619
148 A3N 0.48913 0.753247
149 7D5 0.488636 0.842105
150 U A 0.487603 0.896104
151 YLP 0.486726 0.809524
152 48N 0.486726 0.860759
153 GA7 0.486486 0.87013
154 7MD 0.486486 0.829268
155 A A A 0.485714 0.918919
156 SSA 0.485149 0.770115
157 2A5 0.484536 0.857143
158 7D3 0.483871 0.844156
159 S4M 0.483871 0.678161
160 6RE 0.483516 0.75
161 4UW 0.482456 0.85
162 6V0 0.482456 0.860759
163 DND 0.482456 0.92
164 UP5 0.482456 0.883117
165 NXX 0.482456 0.92
166 TAD 0.482143 0.85
167 NSS 0.480769 0.790698
168 LSS 0.480769 0.752809
169 NDE 0.48062 0.92
170 52H 0.480392 0.770115
171 VMS 0.480392 0.77907
172 54H 0.480392 0.77907
173 ATR 0.479592 0.90411
174 A2P 0.478723 0.916667
175 TYM 0.478261 0.894737
176 OMR 0.478261 0.819277
177 NVA LMS 0.47619 0.764045
178 8X1 0.475728 0.744444
179 5CA 0.475728 0.770115
180 53H 0.475728 0.770115
181 N01 0.47541 0.918919
182 139 0.474576 0.839506
183 4TC 0.474138 0.860759
184 NDC 0.473282 0.884615
185 J7C 0.473118 0.7375
186 ZAS 0.472527 0.779221
187 LEU LMS 0.471698 0.764045
188 A4P 0.470085 0.790698
189 A U 0.470085 0.883117
190 ENQ 0.46729 0.90411
191 P5A 0.46729 0.736264
192 F2R 0.466667 0.809524
193 DSZ 0.466667 0.770115
194 PPS 0.465347 0.817073
195 7D4 0.463918 0.844156
196 8PZ 0.463636 0.770115
197 MAO 0.463158 0.75
198 9K8 0.462963 0.706522
199 BTX 0.46281 0.809524
200 DSH 0.462366 0.716049
201 ADJ 0.462185 0.819277
202 T5A 0.462185 0.809524
203 YLC 0.461538 0.829268
204 YLB 0.461538 0.809524
205 UPA 0.461538 0.871795
206 7MC 0.461538 0.809524
207 5X8 0.459184 0.753247
208 SFG 0.459184 0.74026
209 CNA 0.458333 0.92
210 IMO 0.457447 0.890411
211 V3L 0.455446 0.931507
212 IOT 0.453782 0.8
213 GSU 0.453704 0.770115
214 KAA 0.453704 0.744444
215 GJV 0.452632 0.740741
216 A2R 0.451923 0.918919
217 COD 0.45082 0.781609
218 CNV FAD 0.450704 0.790698
219 2AM 0.450549 0.878378
220 YLA 0.45 0.809524
221 ITT 0.44898 0.878378
222 FAD NBT 0.447552 0.723404
223 DZD 0.447154 0.85
224 BT5 0.447154 0.8
225 AV2 0.446602 0.905405
226 YSA 0.446429 0.770115
227 AYB 0.446281 0.8
228 5AD 0.445783 0.736111
229 80F 0.443548 0.809524
230 Y3J 0.44186 0.716216
231 PAX 0.44186 0.819277
232 SAM 0.441176 0.702381
233 A C A C 0.44 0.860759
234 A7D 0.438776 0.766234
235 6AD 0.436893 0.85
236 OVE 0.43617 0.844156
237 A5D 0.435644 0.776316
238 SA8 0.435644 0.698795
239 FAD CNX 0.435374 0.701031
240 MHZ 0.434343 0.689655
241 M24 0.433071 0.839506
242 71V 0.43299 0.848101
243 P6G FDA 0.432432 0.764045
244 P33 FDA 0.432432 0.73913
245 A3G 0.431579 0.766234
246 SAH 0.431373 0.734177
247 6C6 0.431373 0.846154
248 HFD 0.431373 0.883117
249 SAI 0.431373 0.746835
250 GDP AF3 0.431193 0.829268
251 GEK 0.429907 0.75
252 WSA 0.428571 0.77907
253 U A C C 0.428571 0.871795
254 SMM 0.428571 0.697674
255 0WD 0.427419 0.860759
256 7C5 0.426087 0.78481
257 7D7 0.423529 0.733333
258 NAP 0.423077 0.932432
259 N0B 0.423077 0.809524
260 EEM 0.423077 0.722892
261 NAJ 0.422764 0.918919
262 FAD NBA 0.422078 0.701031
263 ARU 0.422018 0.804878
264 YLY 0.421875 0.8
265 GGZ 0.420561 0.792683
266 TAP 0.419847 0.896104
267 4YB 0.418803 0.752809
268 A6D 0.418182 0.73494
269 NA7 0.418182 0.894737
270 GDP ALF 0.418182 0.829268
271 ALF GDP 0.418182 0.829268
272 APC G U 0.417323 0.825
273 U A A U 0.416667 0.896104
274 EAD 0.416667 0.839506
275 NEC 0.416667 0.714286
276 NA0 0.416667 0.92
277 NHD 0.416 0.918919
278 DAT 0.415842 0.844156
279 S7M 0.415094 0.702381
280 P1H 0.414815 0.819277
281 3AT 0.413462 0.905405
282 6IA 0.413462 0.804878
283 8Q2 0.413223 0.744444
284 0UM 0.412844 0.690476
285 ACK 0.410526 0.849315
286 A3S 0.41 0.776316
287 AAT 0.409524 0.698795
288 AMZ 0.408602 0.853333
289 PGS 0.405941 0.848101
290 2SA 0.40566 0.87013
291 649 0.404959 0.736264
292 CMP 0.40404 0.888889
293 2BA 0.40404 0.902778
294 AVV 0.40367 0.860759
295 NDP 0.403226 0.860759
296 FDA 0.402878 0.781609
297 DA 0.402062 0.842105
298 D5M 0.402062 0.842105
299 A3T 0.401961 0.786667
300 A U C C 0.40146 0.860759
301 DTP 0.4 0.844156
302 NIA 0.4 0.8125
303 QQX 0.4 0.794872
304 NZQ 0.4 0.85
Ligand no: 2; Ligand: MAL; 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
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3RLF; Ligand: ANP; Similar sites found with APoc: 4
This union binding pocket(no: 1) in the query (biounit: 3rlf.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
1 5X40 ACP 35.9589
2 2IXE ATP 39.4834
3 3FVQ ATP 44.0111
4 2PZE ATP 44.5415
Pocket No.: 2; Query (leader) PDB : 3RLF; Ligand: MAL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 3rlf.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3RLF; Ligand: ANP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 3rlf.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
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