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, ESCHERICHIA COLI O15ORGANISM_COMMON:
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 16 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 (37)
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 2AC7 - ADN C10 H13 N5 O4 c1nc(c2c(n....
27 3UAZ - NOS C10 H12 N4 O5 c1nc2c(n1[....
28 3UAY - ADN C10 H13 N5 O4 c1nc(c2c(n....
29 3UAX - NOS C10 H12 N4 O5 c1nc2c(n1[....
30 3UAW - ADN C10 H13 N5 O4 c1nc(c2c(n....
31 4DAO - ADE C5 H5 N5 c1[nH]c2c(....
32 4DA6 - GA2 C9 H13 N5 O4 c1nc2c(n1C....
33 4DA7 - AC2 C8 H11 N5 O3 c1nc2c(n1C....
34 4DAE - 6CR C10 H12 Cl N5 O4 c1nc2c(n1[....
35 4D9H - ADN C10 H13 N5 O4 c1nc(c2c(n....
36 4D8V - ADE C5 H5 N5 c1[nH]c2c(....
37 4DAB - HPA C5 H4 N4 O c1[nH]c2c(....
50% Homology Family (44)
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 1JDV - ADN C10 H13 N5 O4 c1nc(c2c(n....
27 1JDT - MTA C11 H15 N5 O3 S CSC[C@@H]1....
28 1JE1 - GMP C10 H13 N5 O5 c1nc2c(n1[....
29 1JDZ - FMB C10 H12 N4 O5 C1=Nc2c(n[....
30 2AC7 - ADN C10 H13 N5 O4 c1nc(c2c(n....
31 3UAZ - NOS C10 H12 N4 O5 c1nc2c(n1[....
32 3UAY - ADN C10 H13 N5 O4 c1nc(c2c(n....
33 3UAX - NOS C10 H12 N4 O5 c1nc2c(n1[....
34 3UAW - ADN C10 H13 N5 O4 c1nc(c2c(n....
35 1ODI Kd = 62 uM ADN C10 H13 N5 O4 c1nc(c2c(n....
36 1ODJ Kd = 80 uM GMP C10 H13 N5 O5 c1nc2c(n1[....
37 4DAO - ADE C5 H5 N5 c1[nH]c2c(....
38 4DA6 - GA2 C9 H13 N5 O4 c1nc2c(n1C....
39 4DA7 - AC2 C8 H11 N5 O3 c1nc2c(n1C....
40 4DAE - 6CR C10 H12 Cl N5 O4 c1nc2c(n1[....
41 4D9H - ADN C10 H13 N5 O4 c1nc(c2c(n....
42 4D8V - ADE C5 H5 N5 c1[nH]c2c(....
43 4DAB - HPA C5 H4 N4 O c1[nH]c2c(....
44 3U40 - ADN C10 H13 N5 O4 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: RAB; Similar ligands found: 286
No: Ligand ECFP6 Tc MDL keys Tc
1 XYA 1 1
2 ADN 1 1
3 RAB 1 1
4 5N5 0.811321 0.967742
5 5CD 0.796296 0.920635
6 A4D 0.796296 0.967742
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 5AD 0.672727 0.854839
16 6RE 0.671875 0.830986
17 SRA 0.671875 0.797297
18 AMP MG 0.661538 0.819444
19 DSH 0.661538 0.842857
20 AOC 0.661538 0.907692
21 7D7 0.660714 0.875
22 A3N 0.651515 0.923077
23 A2D 0.651515 0.84507
24 ABM 0.651515 0.819444
25 J7C 0.651515 0.842857
26 ADP 0.647059 0.84507
27 S4M 0.641791 0.766234
28 GJV 0.641791 0.819444
29 3AM 0.640625 0.828571
30 AN2 0.637681 0.833333
31 A12 0.632353 0.810811
32 AP2 0.632353 0.810811
33 BA3 0.632353 0.84507
34 MAO 0.632353 0.75641
35 Y3J 0.627119 0.828125
36 AP5 0.623188 0.84507
37 5AS 0.623188 0.714286
38 B4P 0.623188 0.84507
39 ATP 0.619718 0.84507
40 5X8 0.619718 0.865672
41 SON 0.614286 0.786667
42 A7D 0.614286 0.909091
43 APC 0.611111 0.810811
44 AQP 0.611111 0.84507
45 5FA 0.611111 0.84507
46 2FA 0.606557 0.924242
47 26A 0.606557 0.893939
48 M33 0.605634 0.833333
49 CA0 0.605634 0.821918
50 AU1 0.605634 0.821918
51 MHZ 0.605634 0.75641
52 ADP MG 0.605634 0.808219
53 ADX 0.605634 0.759494
54 AGS 0.60274 0.8
55 AD9 0.60274 0.821918
56 SAP 0.60274 0.8
57 2AM 0.6 0.842857
58 SFG 0.597222 0.850746
59 50T 0.597222 0.833333
60 BEF ADP 0.597222 0.786667
61 ACP 0.597222 0.821918
62 ADP BEF 0.597222 0.786667
63 MTP 0.590164 0.852941
64 APR 0.589041 0.84507
65 PRX 0.589041 0.797297
66 AR6 0.589041 0.84507
67 A3G 0.588235 0.938462
68 TAT 0.586667 0.810811
69 ACQ 0.586667 0.821918
70 A3P 0.585714 0.816901
71 RBY 0.581081 0.810811
72 ADV 0.581081 0.810811
73 SA8 0.581081 0.794521
74 ADP PO3 0.581081 0.842857
75 A5D 0.581081 0.865672
76 1DA 0.580645 1
77 6MD 0.580645 0.952381
78 ADQ 0.575 0.847222
79 OVE 0.573529 0.808219
80 SAH 0.573333 0.84058
81 SAI 0.573333 0.828571
82 ATP MG 0.573333 0.808219
83 G5A 0.573333 0.714286
84 A22 0.56962 0.833333
85 GAP 0.565789 0.821918
86 ANP 0.565789 0.821918
87 SAM 0.565789 0.773333
88 NEC 0.565217 0.876923
89 3AD 0.564516 0.951613
90 25A 0.5625 0.819444
91 7D5 0.560606 0.780822
92 AAT 0.558442 0.819444
93 5AL 0.558442 0.808219
94 EEM 0.558442 0.773333
95 ATF 0.551282 0.810811
96 ADP ALF 0.551282 0.776316
97 A5A 0.551282 0.719512
98 ALF ADP 0.551282 0.776316
99 CC5 0.55 0.935484
100 A3S 0.547945 0.953125
101 VO4 ADP 0.544304 0.808219
102 ADP VO4 0.544304 0.808219
103 SSA 0.544304 0.73494
104 SMM 0.544304 0.74359
105 ANP MG 0.544304 0.776316
106 S7M 0.544304 0.773333
107 SRP 0.544304 0.810811
108 QQX 0.544118 0.756757
109 S8M 0.54321 0.805556
110 ADP BMA 0.542169 0.847222
111 A2P 0.541667 0.802817
112 3D1 0.539683 0.907692
113 3L1 0.539683 0.907692
114 PAP 0.539474 0.830986
115 52H 0.5375 0.694118
116 54H 0.5375 0.702381
117 VMS 0.5375 0.702381
118 LSS 0.536585 0.678161
119 ACK 0.536232 0.811594
120 QQY 0.536232 0.767123
121 A3T 0.533333 0.968254
122 TSB 0.530864 0.731707
123 MAP 0.530864 0.8
124 53H 0.530864 0.694118
125 DAL AMP 0.530864 0.808219
126 5CA 0.530864 0.73494
127 GEK 0.52439 0.805556
128 8QN 0.52439 0.808219
129 OOB 0.52439 0.808219
130 5SV 0.52439 0.75641
131 OAD 0.52381 0.821918
132 25L 0.523256 0.833333
133 PPS 0.518987 0.7375
134 DSZ 0.518072 0.714286
135 4AD 0.518072 0.8
136 NSS 0.518072 0.714286
137 0UM 0.518072 0.808219
138 A1R 0.518072 0.813333
139 AMO 0.518072 0.810811
140 PAJ 0.518072 0.792208
141 A A 0.517647 0.819444
142 6CR 0.515152 0.910448
143 RP1 0.514286 0.77027
144 SP1 0.514286 0.77027
145 2VA 0.513158 0.938462
146 62X 0.511905 0.74359
147 00A 0.511905 0.766234
148 NVA LMS 0.511905 0.678161
149 DLL 0.511905 0.808219
150 AHX 0.511905 0.802632
151 3OD 0.511628 0.821918
152 ME8 0.511628 0.728395
153 PTJ 0.511628 0.75641
154 7D3 0.506849 0.783784
155 V3L 0.506329 0.819444
156 K15 0.505882 0.763158
157 3UK 0.505882 0.797297
158 LEU LMS 0.505882 0.678161
159 A6D 0.505882 0.763158
160 GSU 0.5 0.694118
161 2BA 0.5 0.814286
162 KAA 0.5 0.689655
163 PR8 0.5 0.759494
164 AD3 0.5 1
165 P5A 0.5 0.681818
166 CMP 0.5 0.826087
167 NVA 2AD 0.5 0.867647
168 ATR 0.5 0.816901
169 5F1 0.5 0.80597
170 LAD 0.5 0.769231
171 WAQ 0.5 0.766234
172 ATP A A A 0.494382 0.830986
173 FYA 0.494253 0.808219
174 BIS 0.494253 0.789474
175 SXZ 0.494253 0.773333
176 NB8 0.494253 0.779221
177 TXA 0.494253 0.810811
178 JB6 0.494253 0.766234
179 1ZZ 0.494253 0.728395
180 SO8 0.493671 0.924242
181 VRT 0.493671 0.897059
182 IVH 0.493333 0.835616
183 KB1 0.488636 0.783784
184 MYR AMP 0.488636 0.728395
185 2A5 0.487179 0.797297
186 NOC 0.484375 0.903226
187 4UV 0.483516 0.776316
188 9SN 0.483146 0.75641
189 A2R 0.481928 0.833333
190 7D4 0.480519 0.783784
191 FA5 0.477778 0.786667
192 YAP 0.477778 0.776316
193 D3Y 0.47619 0.924242
194 AFH 0.473118 0.792208
195 AR6 AR6 0.473118 0.819444
196 YSA 0.472527 0.694118
197 XAH 0.472527 0.75
198 TYR AMP 0.472527 0.786667
199 TBN 0.46875 0.983607
200 3BH 0.46875 0.953125
201 AMP DBH 0.467391 0.821918
202 101 0.465753 0.780822
203 LAQ 0.463158 0.728395
204 TO1 0.462687 0.952381
205 7C5 0.462366 0.819444
206 G3A 0.462366 0.779221
207 UPA 0.459184 0.813333
208 LPA AMP 0.458333 0.728395
209 4UU 0.457447 0.776316
210 7MD 0.457447 0.772152
211 G5P 0.457447 0.779221
212 A A A 0.454545 0.808219
213 5ID 0.454545 0.923077
214 GTA 0.452632 0.75
215 TAD 0.452632 0.769231
216 4YB 0.452632 0.678161
217 KH3 0.452632 0.776316
218 3NZ 0.449438 0.884058
219 TYM 0.44898 0.786667
220 OMR 0.44898 0.740741
221 WSA 0.44898 0.702381
222 AHZ 0.447917 0.728395
223 ARG AMP 0.447917 0.740741
224 139 0.445545 0.782051
225 48N 0.443299 0.779221
226 YLP 0.443299 0.731707
227 ARJ 0.441176 0.857143
228 AFX 0.441176 0.768116
229 AV2 0.440476 0.77027
230 D5M 0.44 0.756757
231 DA 0.44 0.756757
232 5J9 0.43956 0.773333
233 TXD 0.438776 0.789474
234 NAX 0.438776 0.759494
235 6V0 0.438776 0.779221
236 UP5 0.438776 0.8
237 NXX 0.438776 0.810811
238 DND 0.438776 0.810811
239 NAI 0.438776 0.789474
240 4UW 0.438776 0.746835
241 PO4 PO4 A A A A PO4 0.438202 0.802817
242 NA7 0.438202 0.810811
243 MZR 0.4375 0.859375
244 V1N 0.43617 0.819444
245 HO4 0.434783 0.952381
246 649 0.434343 0.662921
247 AF3 ADP 3PG 0.434343 0.746835
248 TXE 0.434343 0.789474
249 ALF ADP 3PG 0.434343 0.746835
250 LA8 ALF 3PG 0.434343 0.746835
251 IMO 0.434211 0.777778
252 3AT 0.433735 0.819444
253 G A A A 0.432692 0.779221
254 YLB 0.43 0.731707
255 YLC 0.43 0.75
256 AP0 0.43 0.779221
257 7MC 0.43 0.753086
258 4TC 0.43 0.779221
259 SGV 0.428571 0.967742
260 BS5 0.427184 0.674157
261 A4P 0.425743 0.73494
262 IOT 0.421569 0.722892
263 DAT 0.419753 0.76
264 COD 0.419048 0.72619
265 YLA 0.417476 0.731707
266 ADJ 0.417476 0.740741
267 T5A 0.417476 0.731707
268 AS 0.415584 0.717949
269 J1D 0.415094 0.625
270 0XU 0.414634 0.823529
271 CNA 0.413462 0.810811
272 AYB 0.413462 0.722892
273 103 0.413333 0.716216
274 A U 0.411765 0.8
275 GMP 0.410959 0.882353
276 NAD IBO 0.409524 0.776316
277 GGZ 0.409091 0.7125
278 ITT 0.407407 0.791667
279 BTX 0.40566 0.710843
280 NAD 0.40566 0.808219
281 4TA 0.40566 0.719512
282 SFB 0.401961 0.709302
283 U A G G 0.401869 0.766234
284 BT5 0.401869 0.702381
285 DZD 0.401869 0.769231
286 DTP 0.4 0.76
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1A69; Ligand: FMB; Similar sites found: 287
This union binding pocket(no: 1) in the query (biounit: 1a69.bio1) has 109 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2OFD NGA 0.003263 0.47734 None
2 1JH7 UVC 0.004145 0.46609 None
3 2XI7 XI7 0.02659 0.46319 None
4 2OFE NAG 0.006252 0.46308 None
5 1UO5 PIH 0.02836 0.46146 None
6 1UO4 PIH 0.03108 0.45126 None
7 1PTR PRB 0.02392 0.43878 None
8 1LNX URI 0.02281 0.42524 None
9 3S2Y FMN 0.009968 0.41497 None
10 1YRX FMN 0.02141 0.40787 None
11 1HFA PIO 0.005027 0.4732 1.2605
12 3U1T MLI 0.01148 0.45553 1.2605
13 3LTW HLZ 0.0275 0.43045 1.2605
14 1UAY ADN 0.01363 0.41959 1.2605
15 1F5F DHT 0.01656 0.40929 1.46341
16 3SCH TB6 0.003867 0.47362 1.51515
17 3MAG 3MA 0.01401 0.47162 1.68067
18 2R00 OEG 0.04098 0.42642 1.68067
19 4B7E OGA 0.03326 0.42162 1.68067
20 1QDS PGA 0.02675 0.414 1.68067
21 3MCT 3MC 0.04383 0.41158 1.68067
22 2RCN GDP 0.03587 0.4082 1.68067
23 1TRD PGH 0.03303 0.40635 1.68067
24 3QXG TLA 0.0195 0.40048 1.68067
25 1KDK DHT 0.0004469 0.45585 1.69492
26 1NU4 MLA 0.01199 0.47557 2.06186
27 3QDV A2G 0.0004128 0.54977 2.0979
28 3QDY A2G GAL 0.0008518 0.52285 2.0979
29 3QDT A2G GAL 0.000991 0.51931 2.0979
30 3QDW NDG 0.01167 0.45515 2.0979
31 3QDV NDG 0.01676 0.45294 2.0979
32 3QDY CBS 0.01391 0.45116 2.0979
33 1RYI GOA 0.01772 0.48005 2.10084
34 4USS GSH 0.04538 0.41085 2.10084
35 3DER ALA LYS 0.01221 0.40546 2.10084
36 1QZZ SAM 0.03806 0.40039 2.10084
37 1R5A GTS 0.02576 0.41859 2.29358
38 4RJK PYR 0.002452 0.52644 2.52101
39 4NAO AKG 0.007023 0.46668 2.52101
40 4B16 NAG 0.01864 0.46434 2.52101
41 4KSY 1SY 0.005465 0.44981 2.52101
42 3WCS MAN NAG 0.009287 0.44387 2.52101
43 4IXW IXW 0.01588 0.42837 2.52101
44 3CL5 SIO 0.04042 0.42673 2.52101
45 2JFV FLC 0.03625 0.42431 2.52101
46 3LM9 ADP 0.01312 0.42403 2.52101
47 3WCS MAN NAG GAL 0.02213 0.41773 2.52101
48 3W54 RNB 0.0156 0.41708 2.52101
49 3D2Y AH0 ALA FGA LYS 0.01073 0.4137 2.52101
50 3OCZ SRA 0.01739 0.40842 2.52101
51 1E2S CSN 0.03528 0.40182 2.52101
52 2ORV 4TA 0.005054 0.411 2.5641
53 1ULE GLA GAL NAG 0.01288 0.45914 2.66667
54 2YD6 FLC 0.004241 0.50795 2.83019
55 3ZPG 5GP 0.01314 0.46555 2.94118
56 1RZM E4P 0.0115 0.45548 2.94118
57 2QCX PF1 0.00937 0.44874 2.94118
58 4F2Q QUS 0.005452 0.43659 2.94118
59 1NP0 NGT 0.02275 0.43465 2.94118
60 4JP3 CIT 0.008389 0.43255 2.94118
61 1YHM AHD 0.02064 0.43188 2.94118
62 4E28 9MZ 0.03769 0.42344 2.94118
63 1RZM PEP 0.03081 0.41897 2.94118
64 4E28 0MZ 0.03982 0.41774 2.94118
65 3K5X P8D 0.03535 0.40849 2.94118
66 1IM8 SAI 0.01054 0.40789 2.94118
67 4OJ8 AKG 0.01748 0.40233 2.94118
68 1VBI NAD 0.004249 0.40051 2.94118
69 3UDG TMP 0.007458 0.47938 3.36134
70 1Z42 HBA 0.02184 0.47136 3.36134
71 3I7S PYR 0.02181 0.44671 3.36134
72 4HA6 PXM 0.01379 0.44051 3.36134
73 1P9B HDA 0.01492 0.43882 3.36134
74 1YOE RIB 0.01067 0.43637 3.36134
75 3QV9 QV7 0.01742 0.43551 3.36134
76 2ZE3 AKG 0.01795 0.43486 3.36134
77 2Q37 3AL 0.03565 0.42013 3.36134
78 3BK2 U5P 0.01993 0.41604 3.36134
79 1C3V PDC 0.04435 0.4154 3.36134
80 3ZRR PXG 0.01166 0.40918 3.36134
81 1VJT NAD 0.01657 0.40323 3.36134
82 2OZE AGS 0.02201 0.40127 3.36134
83 4U9W COA 0.01676 0.40907 3.38164
84 1SC3 MLI 0.007238 0.4727 3.40909
85 2Z9C FMN 0.01615 0.40367 3.5
86 1Y2W NAG 0.02284 0.43456 3.52113
87 2WCV FUC 0.012 0.43401 3.57143
88 1BTN I3P 0.0003775 0.58304 3.77358
89 2IZ1 ATR 0.001945 0.48867 3.78151
90 1GVF PGH 0.01032 0.44169 3.78151
91 1Y7I SAL 0.0205 0.42746 3.78151
92 3ZF8 GDP 0.0155 0.42473 3.78151
93 1ZED PNP 0.04877 0.42239 3.78151
94 2OHV NHL 0.02188 0.4219 3.78151
95 3I51 45C 0.01565 0.42067 3.78151
96 1RYD GLC 0.04939 0.41739 3.78151
97 4KGM ATP 0.0201 0.41589 3.78151
98 2C5S AMP 0.02986 0.4156 3.78151
99 2HVW DDN 0.03769 0.40058 3.80435
100 4F8L GAL 0.00557 0.50474 4.13793
101 3UBW 6SP 0.002106 0.54232 4.20168
102 3NKS ACJ 0.0009276 0.4646 4.20168
103 1SQ5 PAU 0.01278 0.43727 4.20168
104 1SQ5 ADP 0.01002 0.42918 4.20168
105 1VBH PEP 0.03501 0.42052 4.20168
106 1YFZ IMP 0.01357 0.44085 4.39024
107 1YOA FAD 0.006923 0.41181 4.40252
108 2V5E SCR 0.002574 0.5146 4.5
109 9LDT OXM 0.0286 0.45339 4.62185
110 3SHR CMP 0.006304 0.44233 4.62185
111 1H16 PYR 0.029 0.43995 4.62185
112 4CIB 7UZ 0.02264 0.4299 4.62185
113 1A27 EST 0.006925 0.42833 4.62185
114 3RKR NAP 0.02686 0.41392 4.62185
115 4JEJ 1GP 0.04067 0.40233 4.62185
116 3BAZ NAP 0.008604 0.40019 4.62185
117 3SVL FMN 0.01054 0.41729 4.66321
118 2YLD CMO 0.04517 0.41939 4.72441
119 3CBG 4FE 0.004157 0.50246 4.74138
120 3CBG FER 0.04585 0.43479 4.74138
121 3CBG SAH 0.009295 0.41951 4.74138
122 3F81 STT 0.002974 0.50177 4.91803
123 2VQ5 HBA 0.007207 0.46609 4.97512
124 1UW1 ADP 0.01015 0.44704 5
125 4K30 NLG 0.0204 0.42757 5
126 2ZWS PLM 0.003309 0.51851 5.04202
127 1HSJ GLC 0.04837 0.4471 5.04202
128 2EB5 OXL 0.02549 0.43213 5.04202
129 2I4O ATP 0.01203 0.42969 5.04202
130 2Q1A 2KT 0.02848 0.42967 5.04202
131 1A59 CIT 0.0493 0.42214 5.04202
132 2HEK GDP 0.0334 0.40962 5.04202
133 1EP2 FAD 0.008481 0.40572 5.04202
134 2GWD GLU 0.04948 0.40529 5.04202
135 2QDT I38 0.02782 0.40309 5.04202
136 1LVL NAD 0.01554 0.40149 5.04202
137 3K56 IS3 0.03765 0.4006 5.04202
138 3RK0 AMP 0.01971 0.41626 5.06329
139 1W3R PYR 0.01792 0.45136 5.09259
140 2F59 INI 0.005041 0.42672 5.09554
141 4DN8 BMA 0.04821 0.41793 5.12821
142 4F4S EFO 0.02533 0.42306 5.26316
143 4K7O EKZ 0.01725 0.44625 5.35714
144 1KC7 PPR 0.0007959 0.51597 5.46218
145 1C3X 8IG 0.01064 0.4904 5.46218
146 2VDJ HSE 0.01744 0.452 5.46218
147 2P69 PLP 0.008893 0.44985 5.46218
148 1E5F PLP 0.002457 0.44703 5.46218
149 1O68 KIV 0.01108 0.44022 5.46218
150 1HQL GLA MBG 0.04574 0.42388 5.46218
151 2VAR AMP 0.02033 0.41941 5.46218
152 4C6F DOR 0.04048 0.4058 5.46218
153 4C6F NCD 0.04048 0.4058 5.46218
154 2VAR ANP 0.01411 0.40308 5.46218
155 2VAR KDG 0.04079 0.40228 5.46218
156 3R51 MMA 0.02291 0.45194 5.625
157 3W8S GSH 0.0495 0.41302 5.82524
158 2WGC SIA GAL BGC 0.0465 0.44816 5.84795
159 1WGC SIA GAL BGC 0.03812 0.44601 5.84795
160 3O03 GCO 0.002831 0.50297 5.88235
161 4B9E FAH 0.007621 0.46482 5.88235
162 4LHM AZZ 0.007331 0.45397 5.88235
163 4ME6 ADP 0.009298 0.44891 5.88235
164 1P72 THM 0.00764 0.44791 5.88235
165 1Z45 GAL 0.03104 0.41881 5.88235
166 3KMT SAH 0.03182 0.40376 5.88235
167 1Y75 NAG 0.04854 0.40569 5.9322
168 1JAC AMG 0.004903 0.49828 6.01504
169 3KYF 5GP 5GP 0.001688 0.468 6.06061
170 1OGD RIP 0.03616 0.41562 6.10687
171 3UEC ALA ARG TPO LYS 0.03325 0.43123 6.16438
172 2JBH 5GP 0.02106 0.42267 6.22222
173 1PEA ACM 0.009103 0.46731 6.30252
174 1QO0 BMD 0.03194 0.42712 6.30252
175 1ZUW DGL 0.02055 0.42316 6.30252
176 4KCT PYR 0.0278 0.41705 6.30252
177 1NNS ASP 0.03248 0.41017 6.30252
178 4KCT FDP 0.03351 0.40607 6.30252
179 1XE7 GUN 0.006099 0.48429 6.40394
180 2QLX RM4 0.03236 0.43185 6.48148
181 1VE3 SAM 0.01149 0.41251 6.60793
182 3KJQ B94 0.003116 0.45137 6.70732
183 1DXY COI 0.003114 0.50065 6.72269
184 2Y7P SAL 0.002058 0.47495 6.72269
185 1O9U ADZ 0.0116 0.46861 6.72269
186 1WTC ACP 0.02355 0.43914 6.72269
187 1M1B SPV 0.01559 0.43788 6.72269
188 1DXY NAD 0.004965 0.40583 6.72269
189 3GF2 SAL 0.04303 0.43055 6.84932
190 3RF4 FUN 0.002686 0.46947 6.89655
191 2D0V PQQ 0.01055 0.41086 6.94444
192 1XX4 BAM 0.02339 0.45143 7.14286
193 3ZTV ADN 0.02498 0.4083 7.14286
194 3BHO B4P 0.02517 0.45667 7.21154
195 3N5O GSH 0.01505 0.40786 7.23404
196 3GM5 CIT 0.005675 0.46521 7.54717
197 4M5P MLA 0.004675 0.49949 7.56302
198 2HW1 FRU 0.003363 0.47053 7.56302
199 4M5P 23W 0.0113 0.46222 7.56302
200 1T8U A3P 0.009791 0.41213 7.56302
201 2HNK SAH 0.01505 0.40486 7.56302
202 4IVG ANP 0.009422 0.40406 7.56302
203 3V1U HXC 0.04694 0.40286 7.56302
204 3K3K A8S 0.0119 0.40884 7.58294
205 1TH8 ADP 0.01401 0.42671 7.58621
206 3QO8 SSA 0.02869 0.40253 7.62887
207 4PTZ FMN 0.001454 0.45219 7.8534
208 1JGS SAL 0.001648 0.53694 7.97101
209 2DVZ GLU 0.02994 0.41178 7.98319
210 2TPL HPP 0.004019 0.41169 7.98319
211 2OI2 DP6 0.03163 0.40718 7.98319
212 1C1L GAL BGC 0.003438 0.48286 8.0292
213 1QH9 LAC 0.0309 0.42786 8.18966
214 3T2W BTN 0.04854 0.40219 8.19672
215 1Q3P GLU ALA GLN THR ARG LEU 0.01578 0.4285 8.25688
216 5F7J ADE 0.02695 0.46488 8.40336
217 2Z9V PXM 0.009926 0.4425 8.40336
218 1GPJ CIT 0.0236 0.43383 8.40336
219 1V6A TRE 0.04496 0.41511 8.40336
220 1K27 MTM 0.001634 0.40863 8.40336
221 1FP2 HMO 0.02751 0.40329 8.40336
222 4FGC PQ0 0.01071 0.4459 8.48485
223 1SS4 GSH 0.001176 0.55171 8.49673
224 1SS4 CIT 0.005943 0.5075 8.49673
225 1QD0 RR6 0.003379 0.44983 8.59375
226 3VPD BUA 0.007454 0.49454 8.82353
227 3VPD CIT 0.02521 0.45663 8.82353
228 2Q09 DI6 0.03089 0.41491 8.82353
229 4AIG FLX 0.04261 0.40478 8.95522
230 1POC GEL 0.0261 0.4012 8.95522
231 1ZJ6 G3D 0.02381 0.41264 9.09091
232 1ECM TSA 0.02119 0.42254 9.17431
233 1OIK AKG 0.01738 0.4406 9.2437
234 1Y7P RIP 0.003967 0.48681 9.86547
235 1Y8O ADP 0.03459 0.40892 10.084
236 3IB8 AMP 0.02419 0.4089 10.084
237 1B5E DCM 0.04541 0.40705 10.084
238 1H8P PC 0.003202 0.49997 10.0917
239 1XX6 ADP 0.009517 0.43428 10.4712
240 3E5P PPI 0.009977 0.48819 10.5042
241 4O8A 2OP 0.01606 0.46064 10.5042
242 1AX2 NDG GAL 0.007089 0.44945 10.5042
243 3A1I UNU 0.01557 0.42464 10.5042
244 3VCA PRO 0.0281 0.42303 10.5042
245 3PC3 P1T 0.0145 0.40263 10.5042
246 1T3D CYS 0.007944 0.46388 10.9244
247 3CEV ARG 0.02445 0.41965 10.9244
248 1Y1A GSH 0.01125 0.4926 10.929
249 3IHB TRS 0.00007382 0.56526 11.3445
250 3BRE C2E 0.003903 0.47342 11.3445
251 3IHB GLU 0.01009 0.45846 11.3445
252 2GJ3 FAD 0.01232 0.40252 11.6667
253 1WHT BZS 0.02553 0.4321 11.7647
254 3S9K CIT 0.0001558 0.59953 11.8644
255 3LGS ADE 0.01453 0.48134 12.1849
256 3LGS SAH 0.03679 0.44349 12.1849
257 1GJW GLC 0.002568 0.48947 12.605
258 2BZ1 TAU 0.0003684 0.57651 12.7551
259 2XRH NIO 0.04455 0.42448 13
260 4W6Z ETF 0.03863 0.43905 13.0252
261 3PLN U5P 0.03207 0.41813 13.0252
262 2H6T IVA VAL VAL STA ALA STA 0.01256 0.41419 13.0252
263 4LIT AKG 0.01228 0.44297 13.4454
264 2O66 FLC 0.03068 0.42336 14.0741
265 3SJ0 DXC 0.04597 0.42376 14.0845
266 4G28 0W8 0.01809 0.42574 14.094
267 1V2G OCA 0.03339 0.40614 14.2105
268 4AMV F6R 0.02915 0.40224 15.126
269 1NML CIT 0.01411 0.43521 15.9664
270 2F2U M77 0.02407 0.41608 15.9664
271 1W7J ADP BEF 0.02455 0.40229 16.5563
272 2OWZ CIT 0.00531 0.46667 18.0672
273 1JN2 SFP 0.01019 0.51277 18.5654
274 2FR6 CTN 0.02009 0.40285 19.1781
275 2FR6 URI 0.02157 0.40162 19.1781
276 2E1A MSE 0.04289 0.40822 20
277 2X2T GAL NGA 0.02639 0.44846 20.2614
278 1EB9 HBA 0.04129 0.40204 20.5882
279 3BJE URA 0.03131 0.45966 21.8487
280 2YIV YIV 0.02889 0.44005 22.6891
281 3EJ0 11X 0.03493 0.41842 22.9592
282 1FMB HYB 0.0258 0.4111 25
283 4JCA CIT 0.008565 0.48413 26.3473
284 4FFS BIG 0.00000852 0.51422 34.874
285 3P0F BAU 0.00000003677 0.64718 36.5546
286 3QPB URA 0.04149 0.45463 43.2773
287 4YJK URA 0.01725 0.47635 44.5378
Pocket No.: 2; Query (leader) PDB : 1A69; Ligand: FMB; Similar sites found: 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 108 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1A69; Ligand: FMB; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1a69.bio1) has 107 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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