Receptor
PDB id Resolution Class Description Source Keywords
1PW7 2 Å EC: 2.4.2.1 CRYSTAL STRUCTURE OF E. COLI PURINE NUCLEOSIDE PHOSPHORYLASE WITH 9-BETA-D-ARABINOFURANOSYLADENINE AND SULFATE/PHOSPHATE ESCHERICHIA COLI O157:H7 PROTEIN-NUCLEOSIDE COMPLEX TRANSFERASE
Ref.: STRUCTURAL BASIS FOR SUBSTRATE SPECIFICITY OF ESCHE COLI PURINE NUCLEOSIDE PHOSPHORYLASE. J.BIOL.CHEM. V. 278 47110 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PO4 A:648;
B:649;
C:650;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
94.971 O4 P [O-]P...
RAB A:645;
B:646;
C:647;
 Valid;
Valid;
Valid;
 none;
none;
none;
 submit data
267.241 C10 H13 N5 O4 c1nc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1A69 2.1 Å EC: 2.4.2.1 PURINE NUCLEOSIDE PHOSPHORYLASE IN COMPLEX WITH FORMYCIN B A SULPHATE (PHOSPHATE) ESCHERICHIA COLI GLYCOSYLTRANSFERASE PURINE NUCLEOSIDE PHOSPHORYLASE TRANSF
Ref.: CRYSTAL STRUCTURE OF THE TERNARY COMPLEX OF E. COLI NUCLEOSIDE PHOSPHORYLASE WITH FORMYCIN B, A STRUCTU ANALOGUE OF THE SUBSTRATE INOSINE, AND PHOSPHATE (S AT 2.1 A RESOLUTION. J.MOL.BIOL. V. 280 153 1998
Members (18)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 families.
1 1PR1 Ki = 5 uM FMB C10 H12 N4 O5 C1=Nc2c(n[....
2 1OUM - TAL C12 H16 N4 O4 Cc1c2c(ncn....
3 1PR2 - MDR C11 H14 N4 O3 Cc1c2c(ncn....
4 1PR5 Ki = 120 uM TBN C11 H14 N4 O4 c1cn(c2c1c....
5 1PKE - 2FD C10 H12 F N5 O3 c1nc2c(nc(....
6 1PR6 - XYA C10 H13 N5 O4 c1nc(c2c(n....
7 1PR0 - NOS C10 H12 N4 O5 c1nc2c(n1[....
8 1PK9 - 2FA C10 H12 F N5 O4 c1nc2c(nc(....
9 1OV6 - DBM C12 H16 N4 O4 Cc1c2c(ncn....
10 1PR4 - MTP C11 H14 N4 O4 S CSc1c2c(nc....
11 1PK7 - ADN C10 H13 N5 O4 c1nc(c2c(n....
12 1OVG - MDR C11 H14 N4 O3 Cc1c2c(ncn....
13 1OU4 - 6MP C6 H6 N4 Cc1c2c(nc[....
14 1OTY - 6MP C6 H6 N4 Cc1c2c(nc[....
15 3UT6 - FMC C10 H13 N5 O4 c1nc2c(c(n....
16 1PW7 - RAB C10 H13 N5 O4 c1nc(c2c(n....
17 1K9S - FM2 C11 H16 N5 O4 C[n+]1cnc2....
18 1A69 Ki = 5 uM FMB C10 H12 N4 O5 C1=Nc2c(n[....
70% Homology Family (39)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 1Z35 - 2FA C10 H12 F N5 O4 c1nc2c(nc(....
2 1Z34 ic50 = 0.42 mM 2FD C10 H12 F N5 O3 c1nc2c(nc(....
3 1Z38 - NOS C10 H12 N4 O5 c1nc2c(n1[....
4 1PR1 Ki = 5 uM FMB C10 H12 N4 O5 C1=Nc2c(n[....
5 1OUM - TAL C12 H16 N4 O4 Cc1c2c(ncn....
6 1PR2 - MDR C11 H14 N4 O3 Cc1c2c(ncn....
7 1PR5 Ki = 120 uM TBN C11 H14 N4 O4 c1cn(c2c1c....
8 1PKE - 2FD C10 H12 F N5 O3 c1nc2c(nc(....
9 1PR6 - XYA C10 H13 N5 O4 c1nc(c2c(n....
10 1PR0 - NOS C10 H12 N4 O5 c1nc2c(n1[....
11 1PK9 - 2FA C10 H12 F N5 O4 c1nc2c(nc(....
12 1OV6 - DBM C12 H16 N4 O4 Cc1c2c(ncn....
13 1PR4 - MTP C11 H14 N4 O4 S CSc1c2c(nc....
14 1PK7 - ADN C10 H13 N5 O4 c1nc(c2c(n....
15 1OVG - MDR C11 H14 N4 O3 Cc1c2c(ncn....
16 1OU4 - 6MP C6 H6 N4 Cc1c2c(nc[....
17 1OTY - 6MP C6 H6 N4 Cc1c2c(nc[....
18 3UT6 - FMC C10 H13 N5 O4 c1nc2c(c(n....
19 1PW7 - RAB C10 H13 N5 O4 c1nc(c2c(n....
20 1K9S - FM2 C11 H16 N5 O4 C[n+]1cnc2....
21 1A69 Ki = 5 uM FMB C10 H12 N4 O5 C1=Nc2c(n[....
22 1VHW - ADN C10 H13 N5 O4 c1nc(c2c(n....
23 5MX4 - HPA C5 H4 N4 O c1[nH]c2c(....
24 5MX6 - HPA C5 H4 N4 O c1[nH]c2c(....
25 5MX8 - HPA C5 H4 N4 O c1[nH]c2c(....
26 6F4X Kd = 10.7 uM FMC C10 H13 N5 O4 c1nc2c(c(n....
27 6F4W Kd = 2.95 uM FMC C10 H13 N5 O4 c1nc2c(c(n....
28 2AC7 - ADN C10 H13 N5 O4 c1nc(c2c(n....
29 3UAZ - NOS C10 H12 N4 O5 c1nc2c(n1[....
30 3UAY - ADN C10 H13 N5 O4 c1nc(c2c(n....
31 3UAX - NOS C10 H12 N4 O5 c1nc2c(n1[....
32 3UAW - ADN C10 H13 N5 O4 c1nc(c2c(n....
33 4DAO - ADE C5 H5 N5 c1[nH]c2c(....
34 4DA6 - GA2 C9 H13 N5 O4 c1nc2c(n1C....
35 4DA7 - AC2 C8 H11 N5 O3 c1nc2c(n1C....
36 4DAE - 6CR C10 H12 Cl N5 O4 c1nc2c(n1[....
37 4D9H - ADN C10 H13 N5 O4 c1nc(c2c(n....
38 4D8V - ADE C5 H5 N5 c1[nH]c2c(....
39 4DAB - HPA C5 H4 N4 O c1[nH]c2c(....
50% Homology Family (45)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1Z35 - 2FA C10 H12 F N5 O4 c1nc2c(nc(....
2 1Z34 ic50 = 0.42 mM 2FD C10 H12 F N5 O3 c1nc2c(nc(....
3 1Z38 - NOS C10 H12 N4 O5 c1nc2c(n1[....
4 1PR1 Ki = 5 uM FMB C10 H12 N4 O5 C1=Nc2c(n[....
5 1OUM - TAL C12 H16 N4 O4 Cc1c2c(ncn....
6 1PR2 - MDR C11 H14 N4 O3 Cc1c2c(ncn....
7 1PR5 Ki = 120 uM TBN C11 H14 N4 O4 c1cn(c2c1c....
8 1PKE - 2FD C10 H12 F N5 O3 c1nc2c(nc(....
9 1PR6 - XYA C10 H13 N5 O4 c1nc(c2c(n....
10 1PR0 - NOS C10 H12 N4 O5 c1nc2c(n1[....
11 1PK9 - 2FA C10 H12 F N5 O4 c1nc2c(nc(....
12 1OV6 - DBM C12 H16 N4 O4 Cc1c2c(ncn....
13 1PR4 - MTP C11 H14 N4 O4 S CSc1c2c(nc....
14 1PK7 - ADN C10 H13 N5 O4 c1nc(c2c(n....
15 1OVG - MDR C11 H14 N4 O3 Cc1c2c(ncn....
16 1OU4 - 6MP C6 H6 N4 Cc1c2c(nc[....
17 1OTY - 6MP C6 H6 N4 Cc1c2c(nc[....
18 3UT6 - FMC C10 H13 N5 O4 c1nc2c(c(n....
19 1PW7 - RAB C10 H13 N5 O4 c1nc(c2c(n....
20 1K9S - FM2 C11 H16 N5 O4 C[n+]1cnc2....
21 1A69 Ki = 5 uM FMB C10 H12 N4 O5 C1=Nc2c(n[....
22 1VHW - ADN C10 H13 N5 O4 c1nc(c2c(n....
23 5MX4 - HPA C5 H4 N4 O c1[nH]c2c(....
24 5MX6 - HPA C5 H4 N4 O c1[nH]c2c(....
25 5MX8 - HPA C5 H4 N4 O c1[nH]c2c(....
26 6F4X Kd = 10.7 uM FMC C10 H13 N5 O4 c1nc2c(c(n....
27 6F4W Kd = 2.95 uM FMC C10 H13 N5 O4 c1nc2c(c(n....
28 1JDT - MTA C11 H15 N5 O3 S CSC[C@@H]1....
29 1JE1 - GMP C10 H13 N5 O5 c1nc2c(n1[....
30 1JDZ - FMB C10 H12 N4 O5 C1=Nc2c(n[....
31 2AC7 - ADN C10 H13 N5 O4 c1nc(c2c(n....
32 3UAZ - NOS C10 H12 N4 O5 c1nc2c(n1[....
33 3UAY - ADN C10 H13 N5 O4 c1nc(c2c(n....
34 3UAX - NOS C10 H12 N4 O5 c1nc2c(n1[....
35 3UAW - ADN C10 H13 N5 O4 c1nc(c2c(n....
36 1ODI Kd = 62 uM ADN C10 H13 N5 O4 c1nc(c2c(n....
37 1ODJ Kd = 80 uM GMP C10 H13 N5 O5 c1nc2c(n1[....
38 4DAO - ADE C5 H5 N5 c1[nH]c2c(....
39 4DA6 - GA2 C9 H13 N5 O4 c1nc2c(n1C....
40 4DA7 - AC2 C8 H11 N5 O3 c1nc2c(n1C....
41 4DAE - 6CR C10 H12 Cl N5 O4 c1nc2c(n1[....
42 4D9H - ADN C10 H13 N5 O4 c1nc(c2c(n....
43 4D8V - ADE C5 H5 N5 c1[nH]c2c(....
44 4DAB - HPA C5 H4 N4 O c1[nH]c2c(....
45 3U40 - ADN C10 H13 N5 O4 c1nc(c2c(n....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: RAB; Similar ligands found: 362
No: Ligand ECFP6 Tc MDL keys Tc
1 RAB 1 1
2 XYA 1 1
3 ADN 1 1
4 5N5 0.811321 0.967742
5 A4D 0.796296 0.967742
6 5CD 0.796296 0.920635
7 MTA 0.758621 0.878788
8 EP4 0.754386 0.852941
9 M2T 0.741379 0.828571
10 DTA 0.741379 0.865672
11 AMP 0.709677 0.842857
12 A 0.709677 0.842857
13 3DH 0.704918 0.878788
14 ZAS 0.68254 0.84058
15 LMS 0.68254 0.7375
16 5AD 0.672727 0.854839
17 6RE 0.671875 0.830986
18 SRA 0.671875 0.797297
19 AMP MG 0.671875 0.855072
20 DSH 0.661538 0.842857
21 AOC 0.661538 0.907692
22 7D7 0.660714 0.875
23 A2D 0.651515 0.84507
24 ABM 0.651515 0.819444
25 J7C 0.651515 0.842857
26 A3N 0.651515 0.923077
27 45A 0.651515 0.819444
28 ADP 0.647059 0.84507
29 NWW 0.644068 0.870968
30 GJV 0.641791 0.819444
31 S4M 0.641791 0.766234
32 3AM 0.640625 0.828571
33 AN2 0.637681 0.833333
34 MAO 0.632353 0.75641
35 BA3 0.632353 0.84507
36 AP2 0.632353 0.810811
37 A12 0.632353 0.810811
38 Y3J 0.627119 0.828125
39 AP5 0.623188 0.84507
40 B4P 0.623188 0.84507
41 5AS 0.623188 0.714286
42 HEJ 0.619718 0.84507
43 5X8 0.619718 0.865672
44 ATP 0.619718 0.84507
45 ADP BEF 0.614286 0.842857
46 AT4 0.614286 0.810811
47 A7D 0.614286 0.909091
48 ADP MG 0.614286 0.842857
49 SON 0.614286 0.786667
50 5FA 0.611111 0.84507
51 APC 0.611111 0.810811
52 AQP 0.611111 0.84507
53 2FA 0.606557 0.924242
54 26A 0.606557 0.893939
55 ADX 0.605634 0.759494
56 M33 0.605634 0.833333
57 CA0 0.605634 0.821918
58 MHZ 0.605634 0.75641
59 AU1 0.605634 0.821918
60 AGS 0.60274 0.8
61 AD9 0.60274 0.821918
62 2AM 0.6 0.842857
63 50T 0.597222 0.833333
64 H1Q 0.597222 0.830986
65 KG4 0.597222 0.821918
66 SFG 0.597222 0.850746
67 ACP 0.597222 0.821918
68 MTP 0.590164 0.852941
69 AR6 0.589041 0.84507
70 PRX 0.589041 0.797297
71 APR 0.589041 0.84507
72 A3G 0.588235 0.938462
73 ACQ 0.586667 0.821918
74 T99 0.586667 0.810811
75 TAT 0.586667 0.810811
76 A3P 0.585714 0.816901
77 A5D 0.581081 0.865672
78 RBY 0.581081 0.810811
79 SA8 0.581081 0.794521
80 ADP PO3 0.581081 0.842857
81 ATP MG 0.581081 0.842857
82 APC MG 0.581081 0.819444
83 ADV 0.581081 0.810811
84 1DA 0.580645 1
85 6MD 0.580645 0.952381
86 ADQ 0.575 0.847222
87 OVE 0.573529 0.808219
88 SAH 0.573333 0.84058
89 BEF ADP 0.573333 0.819444
90 SAI 0.573333 0.828571
91 G5A 0.573333 0.714286
92 A22 0.56962 0.833333
93 KL2 0.569231 0.788732
94 GAP 0.565789 0.821918
95 SAM 0.565789 0.773333
96 ANP 0.565789 0.821918
97 NEC 0.565217 0.876923
98 3AD 0.564516 0.951613
99 6YZ 0.564103 0.821918
100 25A 0.5625 0.819444
101 7D5 0.560606 0.780822
102 5AL 0.558442 0.808219
103 8LE 0.558442 0.776316
104 EEM 0.558442 0.773333
105 V2G 0.558442 0.779221
106 AAT 0.558442 0.819444
107 HQG 0.556962 0.833333
108 NWQ 0.552239 0.84375
109 ANP MG 0.551282 0.808219
110 VO4 ADP 0.551282 0.797297
111 A5A 0.551282 0.719512
112 ALF ADP 0.551282 0.776316
113 ATF 0.551282 0.810811
114 CC5 0.55 0.935484
115 A3S 0.547945 0.953125
116 8LH 0.544304 0.810811
117 SMM 0.544304 0.74359
118 V47 0.544304 0.863636
119 SSA 0.544304 0.73494
120 SRP 0.544304 0.810811
121 S7M 0.544304 0.773333
122 QQX 0.544118 0.756757
123 S8M 0.54321 0.805556
124 N5O 0.542857 0.893939
125 ADP BMA 0.542169 0.847222
126 A2P 0.541667 0.802817
127 3D1 0.539683 0.907692
128 3L1 0.539683 0.907692
129 PAP 0.539474 0.830986
130 54H 0.5375 0.702381
131 52H 0.5375 0.694118
132 VMS 0.5375 0.702381
133 LSS 0.536585 0.678161
134 ERJ 0.536232 0.920635
135 ACK 0.536232 0.811594
136 QQY 0.536232 0.767123
137 K38 0.534884 0.910448
138 A3T 0.533333 0.968254
139 8LQ 0.530864 0.786667
140 TSB 0.530864 0.731707
141 MAP 0.530864 0.8
142 8X1 0.530864 0.689655
143 5CA 0.530864 0.73494
144 KY2 0.530864 0.797297
145 53H 0.530864 0.694118
146 QA7 0.530864 0.776316
147 DAL AMP 0.530864 0.808219
148 K2H 0.53012 0.855072
149 K3K 0.528736 0.910448
150 N5A 0.527778 0.863636
151 QXP 0.52439 0.740741
152 GEK 0.52439 0.805556
153 8QN 0.52439 0.808219
154 OZV 0.52439 0.84507
155 9ZA 0.52439 0.766234
156 5SV 0.52439 0.75641
157 9ZD 0.52439 0.766234
158 OOB 0.52439 0.808219
159 9X8 0.52381 0.8
160 OAD 0.52381 0.821918
161 25L 0.523256 0.833333
162 K3H 0.522727 0.871429
163 K2W 0.522727 0.859155
164 PPS 0.518987 0.7375
165 A1R 0.518072 0.813333
166 PAJ 0.518072 0.792208
167 KYB 0.518072 0.797297
168 A3R 0.518072 0.813333
169 0UM 0.518072 0.808219
170 AMO 0.518072 0.810811
171 4AD 0.518072 0.8
172 DSZ 0.518072 0.714286
173 NSS 0.518072 0.714286
174 K2K 0.517647 0.857143
175 6CR 0.515152 0.910448
176 SP1 0.514286 0.77027
177 RP1 0.514286 0.77027
178 2VA 0.513158 0.938462
179 AHX 0.511905 0.802632
180 00A 0.511905 0.766234
181 62X 0.511905 0.74359
182 NVA LMS 0.511905 0.670455
183 DLL 0.511905 0.808219
184 JNT 0.511905 0.847222
185 3OD 0.511628 0.821918
186 ME8 0.511628 0.728395
187 PTJ 0.511628 0.75641
188 HZ2 0.51087 0.847222
189 7D3 0.506849 0.783784
190 V3L 0.506329 0.819444
191 LEU LMS 0.505882 0.686047
192 K15 0.505882 0.763158
193 QXG 0.505882 0.731707
194 A6D 0.505882 0.763158
195 3UK 0.505882 0.797297
196 KAA 0.5 0.689655
197 WAQ 0.5 0.766234
198 PR8 0.5 0.759494
199 HY8 0.5 0.847222
200 2BA 0.5 0.814286
201 5F1 0.5 0.80597
202 CMP 0.5 0.826087
203 R2V 0.5 0.740741
204 LAD 0.5 0.769231
205 ATR 0.5 0.816901
206 NVA 2AD 0.5 0.884058
207 B5V 0.5 0.786667
208 AD3 0.5 1
209 GSU 0.5 0.694118
210 P5A 0.5 0.681818
211 KY8 0.5 0.819444
212 ATP A 0.494382 0.830986
213 ATP A A A 0.494382 0.830986
214 KMQ 0.494382 0.810811
215 NB8 0.494253 0.779221
216 1ZZ 0.494253 0.728395
217 JB6 0.494253 0.766234
218 9K8 0.494253 0.670455
219 BIS 0.494253 0.789474
220 TXA 0.494253 0.810811
221 SXZ 0.494253 0.773333
222 FYA 0.494253 0.808219
223 SO8 0.493671 0.924242
224 VRT 0.493671 0.897059
225 IVH 0.493333 0.835616
226 KY5 0.488636 0.842857
227 KB1 0.488636 0.783784
228 MYR AMP 0.488636 0.728395
229 2A5 0.487179 0.797297
230 NOC 0.484375 0.903226
231 4UV 0.483516 0.776316
232 9SN 0.483146 0.75641
233 A2R 0.481928 0.833333
234 7D4 0.480519 0.783784
235 B5Y 0.477778 0.776316
236 B5M 0.477778 0.776316
237 FA5 0.477778 0.786667
238 8PZ 0.477778 0.714286
239 D3Y 0.47619 0.924242
240 AR6 AR6 0.473118 0.819444
241 AFH 0.473118 0.792208
242 YSA 0.472527 0.694118
243 KYE 0.472527 0.776316
244 B1U 0.472527 0.655556
245 XAH 0.472527 0.75
246 EKK 0.469697 0.923077
247 NX8 0.469136 0.830986
248 TBN 0.46875 0.983607
249 3BH 0.46875 0.953125
250 NWZ 0.468354 0.816901
251 K3E 0.467391 0.897059
252 AMP DBH 0.467391 0.821918
253 101 0.465753 0.780822
254 LAQ 0.463158 0.728395
255 TO1 0.462687 0.952381
256 G3A 0.462366 0.779221
257 7C5 0.462366 0.819444
258 ERS 0.461538 0.855072
259 UPA 0.459184 0.813333
260 LPA AMP 0.458333 0.728395
261 ARG AMP 0.457447 0.740741
262 G5P 0.457447 0.779221
263 GA7 0.457447 0.835616
264 7MD 0.457447 0.772152
265 4UU 0.457447 0.776316
266 ERP 0.455696 0.90625
267 CUU 0.455696 0.819444
268 5ID 0.454545 0.923077
269 EKH 0.454545 0.923077
270 GTA 0.452632 0.75
271 KXW 0.452632 0.819444
272 DQV 0.452632 0.833333
273 KH3 0.452632 0.776316
274 TAD 0.452632 0.769231
275 4YB 0.452632 0.678161
276 J4G 0.449438 0.776316
277 3NZ 0.449438 0.884058
278 OMR 0.44898 0.740741
279 TYM 0.44898 0.786667
280 WSA 0.44898 0.702381
281 AHZ 0.447917 0.728395
282 FTU 0.447761 0.923077
283 KF5 0.446154 0.656716
284 139 0.445545 0.782051
285 Q2M 0.444444 0.773333
286 KOY 0.443299 0.855072
287 OZP 0.443299 0.794521
288 U4Y 0.443299 0.805556
289 48N 0.443299 0.779221
290 YLP 0.443299 0.731707
291 ARJ 0.441176 0.857143
292 AFX 0.441176 0.768116
293 LQJ 0.44086 0.819444
294 AV2 0.440476 0.77027
295 D5M 0.44 0.756757
296 DA 0.44 0.756757
297 5J9 0.43956 0.773333
298 4UW 0.438776 0.746835
299 EU9 0.438776 0.698795
300 6V0 0.438776 0.779221
301 NAI 0.438776 0.789474
302 TXD 0.438776 0.789474
303 UP5 0.438776 0.8
304 DND 0.438776 0.810811
305 NAX 0.438776 0.759494
306 PO4 PO4 A A A A PO4 0.438202 0.802817
307 NA7 0.438202 0.810811
308 MZR 0.4375 0.859375
309 V1N 0.43617 0.819444
310 HO4 0.434783 0.952381
311 TXE 0.434343 0.789474
312 N37 0.434343 0.802817
313 ALF ADP 3PG 0.434343 0.746835
314 649 0.434343 0.662921
315 AF3 ADP 3PG 0.434343 0.746835
316 IMO 0.434211 0.777778
317 3AT 0.433735 0.819444
318 Q2V 0.431373 0.783784
319 Q34 0.43 0.753247
320 NAD TDB 0.43 0.819444
321 YLB 0.43 0.731707
322 F0P 0.43 0.794521
323 7MC 0.43 0.753086
324 AP0 0.43 0.779221
325 4TC 0.43 0.779221
326 YLC 0.43 0.75
327 NAD IBO 0.43 0.819444
328 8Q2 0.43 0.689655
329 L3W 0.43 0.810811
330 6MZ 0.428571 0.805556
331 SGV 0.428571 0.967742
332 BS5 0.427184 0.674157
333 A4P 0.425743 0.73494
334 IOT 0.421569 0.722892
335 DAT 0.419753 0.76
336 COD 0.419048 0.72619
337 ADJ 0.417476 0.740741
338 T5A 0.417476 0.731707
339 YLA 0.417476 0.731707
340 AS 0.415584 0.717949
341 J1D 0.415094 0.625
342 0XU 0.414634 0.823529
343 AYB 0.413462 0.722892
344 CNA 0.413462 0.810811
345 103 0.413333 0.716216
346 80F 0.411215 0.731707
347 GMP 0.410959 0.882353
348 EO7 0.410256 0.702381
349 F2R 0.409524 0.753086
350 GGZ 0.409091 0.7125
351 ITT 0.407407 0.791667
352 BTX 0.40566 0.710843
353 Q2P 0.40566 0.753247
354 4TA 0.40566 0.719512
355 NAD 0.40566 0.808219
356 AMP NAD 0.40566 0.808219
357 O02 0.404762 0.779221
358 SFB 0.401961 0.709302
359 DZD 0.401869 0.769231
360 BT5 0.401869 0.702381
361 DTP 0.4 0.76
362 AF2 AF2 AF2 AF2 AF2 AF2 0.4 0.716216
Similar Ligands (3D)
Ligand no: 1; Ligand: RAB; Similar ligands found: 130
No: Ligand Similarity coefficient
1 FMC 0.9714
2 FMB 0.9713
3 IMH 0.9712
4 MDR 0.9676
5 FM1 0.9665
6 NOS 0.9631
7 CL9 0.9600
8 TAL 0.9549
9 5UD 0.9539
10 THM 0.9531
11 2FD 0.9506
12 9DI 0.9497
13 5FD 0.9487
14 HPR 0.9435
15 0DN 0.9435
16 PUR 0.9410
17 GNG 0.9401
18 PRH 0.9395
19 5NB 0.9386
20 FM2 0.9371
21 MCY 0.9367
22 5MD 0.9366
23 8OX 0.9357
24 5BT 0.9349
25 URI 0.9341
26 DUR 0.9327
27 B86 0.9323
28 CFE 0.9313
29 DCZ 0.9290
30 MTM 0.9284
31 DCF 0.9280
32 ID2 0.9274
33 CTN 0.9263
34 3DT 0.9258
35 DBM 0.9256
36 MTH 0.9246
37 CDY 0.9245
38 IMG 0.9238
39 5I5 0.9200
40 MG7 0.9187
41 Z8B 0.9174
42 NQ7 0.9138
43 MTI 0.9135
44 THU 0.9121
45 H7S 0.9118
46 UA2 0.9110
47 ZIQ 0.9105
48 RPP 0.9078
49 4UO 0.9048
50 7CI 0.9045
51 DDU 0.9038
52 N8M 0.9029
53 DNB 0.8997
54 XTS 0.8996
55 38B 0.8986
56 TIA 0.8982
57 8DA 0.8980
58 TRP 0.8959
59 78U 0.8959
60 AOJ 0.8959
61 A4G 0.8955
62 CTE 0.8948
63 ZYV 0.8947
64 BVD 0.8932
65 GA2 0.8923
66 2TU 0.8915
67 FWD 0.8899
68 9UL 0.8897
69 H4B 0.8895
70 RVD 0.8884
71 NEO 0.8882
72 NEU 0.8882
73 DIH 0.8881
74 NNR 0.8868
75 HBI 0.8867
76 LVY 0.8865
77 EXL 0.8861
78 0GA 0.8851
79 2L2 0.8847
80 4OG 0.8846
81 QMR 0.8838
82 ALN 0.8821
83 IM5 0.8811
84 DTR 0.8807
85 GZV 0.8803
86 22L 0.8791
87 X2M 0.8788
88 5JT 0.8780
89 KP2 0.8778
90 92O 0.8769
91 EF2 0.8768
92 2J5 0.8764
93 C1Y 0.8760
94 TR7 0.8758
95 M5H 0.8750
96 MPU 0.8748
97 ITW 0.8748
98 KWB 0.8736
99 ANU 0.8727
100 885 0.8718
101 H2B 0.8712
102 Q5M 0.8708
103 Z17 0.8700
104 6EL 0.8696
105 LTN 0.8689
106 LLT 0.8686
107 WS6 0.8683
108 ZJB 0.8679
109 0J4 0.8675
110 Y70 0.8674
111 BGC BMA 0.8667
112 DTE 0.8667
113 JA3 0.8659
114 BC3 0.8658
115 BDJ 0.8657
116 RBV 0.8655
117 3Y7 0.8648
118 5P7 0.8628
119 4AB 0.8622
120 E1N 0.8621
121 PIR 0.8620
122 B5A 0.8616
123 BMA BMA 0.8602
124 ETV 0.8602
125 F4U 0.8602
126 JMS 0.8597
127 TDI 0.8595
128 ACE TRP 0.8568
129 RCM 0.8549
130 LDC 0.8523
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1A69; Ligand: FMB; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 1a69.bio1) has 109 residues
No: Leader PDB Ligand Sequence Similarity
1 3KVY R2B 34.874
Pocket No.: 2; Query (leader) PDB : 1A69; Ligand: FMB; 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: 1a69.bio1) has 109 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1A69; Ligand: FMB; Similar sites found with APoc: 1
This union binding pocket(no: 3) in the query (biounit: 1a69.bio1) has 108 residues
No: Leader PDB Ligand Sequence Similarity
1 3KVY R2B 34.874
Pocket No.: 4; Query (leader) PDB : 1A69; Ligand: FMB; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 1a69.bio1) has 108 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1A69; Ligand: FMB; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 1a69.bio1) has 107 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1A69; Ligand: FMB; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 1a69.bio1) has 107 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback