Receptor
PDB id Resolution Class Description Source Keywords
4DYO 2.2 Å EC: 3.4.11.21 CRYSTAL STRUCTURE OF HUMAN ASPARTYL AMINOPEPTIDASE (DNPEP) I WITH ASPARTIC ACID HYDROXAMATE HOMO SAPIENS STRUCTURAL GENOMICS STRUCTURAL GENOMICS CONSORTIUM SGC HY
Ref.: STRUCTURE OF HUMAN ASPARTYL AMINOPEPTIDASE COMPLEXE SUBSTRATE ANALOGUE: INSIGHT INTO CATALYTIC MECHANIS SUBSTRATE SPECIFICITY AND M18 PEPTIDASE FAMILY. BMC STRUCT.BIOL. V. 12 14 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:505;
A:506;
A:507;
A:508;
A:509;
A:510;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
MG A:503;
Invalid;
none;
submit data
24.305 Mg [Mg+2...
SD4 A:504;
Valid;
none;
submit data
148.117 C4 H8 N2 O4 C([C@...
ZN A:501;
A:502;
Part of Protein;
Part of Protein;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4DYO 2.2 Å EC: 3.4.11.21 CRYSTAL STRUCTURE OF HUMAN ASPARTYL AMINOPEPTIDASE (DNPEP) I WITH ASPARTIC ACID HYDROXAMATE HOMO SAPIENS STRUCTURAL GENOMICS STRUCTURAL GENOMICS CONSORTIUM SGC HY
Ref.: STRUCTURE OF HUMAN ASPARTYL AMINOPEPTIDASE COMPLEXE SUBSTRATE ANALOGUE: INSIGHT INTO CATALYTIC MECHANIS SUBSTRATE SPECIFICITY AND M18 PEPTIDASE FAMILY. BMC STRUCT.BIOL. V. 12 14 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4DYO - SD4 C4 H8 N2 O4 C([C@@H](C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4DYO - SD4 C4 H8 N2 O4 C([C@@H](C....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4DYO - SD4 C4 H8 N2 O4 C([C@@H](C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SD4; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 SD4 1 1
2 ASP 0.5 0.648649
3 DAS 0.5 0.648649
4 ASN 0.5 0.756757
5 HGA 0.5 0.871795
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4DYO; Ligand: SD4; Similar sites found: 620
This union binding pocket(no: 1) in the query (biounit: 4dyo.bio2) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2HJ3 FAD 0.003437 0.41894 None
2 3SJ7 NDP 0.01164 0.40772 None
3 3T1A 5MA 0.003186 0.41645 0.824742
4 1V8K ANP 0.009481 0.41402 0.97561
5 2V7T SAH 0.01437 0.44234 1.00334
6 1RYD NDP 0.01019 0.41942 1.03359
7 1B8U OAA 0.01158 0.4115 1.21581
8 4L7I SAM 0.004114 0.40998 1.2285
9 1ECC PCP 0.004432 0.4179 1.23711
10 2YPO PHE 0.000952 0.45502 1.2987
11 1GEX PLP HSA 0.005959 0.41573 1.40449
12 2J07 HDF 0.00821 0.4336 1.42857
13 2J07 FAD 0.00821 0.4336 1.42857
14 1ME8 RVP 0.004342 0.46308 1.4433
15 4EPL JAI 0.003184 0.41225 1.4433
16 4OE4 NAD 0.01204 0.40899 1.4433
17 1KBI PYR 0.009897 0.40799 1.4433
18 1KBI FMN 0.009897 0.40799 1.4433
19 1E2S CSN 0.005232 0.40153 1.4433
20 1Q3Q ANP 0.0321 0.41162 1.45985
21 4CCO OGA 0.0007578 0.43223 1.49893
22 1WL4 COA 0.005392 0.43744 1.51134
23 3PB9 1BN 0.0000591 0.51232 1.51515
24 1Y42 TYR 0.001084 0.4261 1.53061
25 2TPL HPP 0.006304 0.41471 1.53509
26 3GE7 AFQ 0.0006457 0.4664 1.5544
27 1V1A ADP 0.0105 0.40961 1.61812
28 3WBF NAP 0.008113 0.41434 1.63934
29 3WBF API 0.01109 0.41348 1.63934
30 4GYW UDP 0.001278 0.45239 1.64948
31 2AQJ TRP 0.01113 0.43352 1.64948
32 2AQJ FAD 0.02295 0.41967 1.64948
33 4AT0 FAD 0.023 0.41261 1.64948
34 1CL2 PPG 0.005134 0.41005 1.64948
35 1VCO GLN 0.01388 0.40183 1.64948
36 3UER BTU 0.004635 0.40124 1.64948
37 3UER TUR 0.004635 0.40124 1.64948
38 4R33 SAH 0.0007044 0.46479 1.66667
39 4R33 TRP 0.0007044 0.46479 1.66667
40 2H8Z 8CM 0.01606 0.40179 1.67131
41 2H8Z FMN 0.01606 0.40179 1.67131
42 2VL1 GLY GLY 0.0003792 0.47369 1.68776
43 4J7H TLO 0.003457 0.41503 1.69851
44 1KBJ FMN 0.002647 0.43037 1.69903
45 1YB5 NAP 0.005499 0.42774 1.7094
46 3QUR FM4 0.01729 0.40288 1.74825
47 3QUR ADP 0.01729 0.40288 1.74825
48 2YHW BM3 0.0006941 0.46082 1.74927
49 2C7G FAD 0.008855 0.43668 1.75439
50 4CIB 7UZ 0.0006817 0.41446 1.75824
51 1B9I PXG 0.003908 0.42015 1.80412
52 9LDT NAD 0.001036 0.45489 1.80723
53 9LDB NAD 0.001166 0.45272 1.80723
54 1TUF AZ1 0.009255 0.40629 1.84332
55 2EJU SAH 0.004836 0.40919 1.85185
56 4K5S FAD 0.005005 0.42832 1.85567
57 4K5S PM0 0.02161 0.4146 1.85567
58 3BK2 U5P 0.002299 0.41307 1.85567
59 1QPB TPP 0.009141 0.40943 1.85567
60 1QPB PYM 0.009141 0.40943 1.85567
61 3WD1 ST7 0.02723 0.40609 1.85567
62 2QA1 FAD 0.025 0.40035 1.85567
63 1X8X TYR 0.001098 0.42281 1.86335
64 4C25 13P 0.002001 0.43997 1.88679
65 3NKS FAD 0.004082 0.43672 1.88679
66 2HGS ADP 0.005174 0.41347 1.89873
67 4WX0 HXD 0.002294 0.41788 1.90114
68 1HYE NAP 0.003291 0.42321 1.91693
69 1H6W SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 0.007835 0.43492 1.92308
70 3KO8 NAD 0.01971 0.4016 1.92308
71 1IYE PGU 0.01812 0.40201 1.94175
72 2PTR 2SA 0.006196 0.4165 1.94805
73 1K97 ASP 0.02914 0.42472 1.97802
74 1K97 CIR 0.02914 0.42472 1.97802
75 1OYB FMN 0.00269 0.42681 2
76 1OYB HBA 0.003509 0.42681 2
77 3ZS7 ATP 0.01021 0.40139 2
78 1O9U ADZ 0.02252 0.40085 2
79 3TKA SAM 0.002867 0.42214 2.01729
80 3HAZ FAD 0.0008407 0.45875 2.06186
81 4IVG ANP 0.009894 0.43074 2.06186
82 3OND NAD 0.01024 0.42846 2.06186
83 3OND ADN 0.01024 0.42846 2.06186
84 3O03 NAP 0.00678 0.41486 2.06186
85 1V7W NAG 0.003738 0.40487 2.06186
86 1V7W NDG 0.003738 0.40487 2.06186
87 1VJT NAD 0.001908 0.42739 2.07039
88 1R6D DAU 0.006387 0.44091 2.07715
89 1R6D NAD 0.01929 0.41978 2.07715
90 1H6C SIN 0.01824 0.41029 2.07852
91 1K6M AGS 0.003539 0.41843 2.08333
92 2BII MTV 0.001268 0.44022 2.12264
93 1V35 NAI 0.01485 0.4161 2.12766
94 1Q11 TYE 0.0009976 0.42752 2.15054
95 3EE4 MYR 0.007975 0.40409 2.16718
96 3ZUY TCH 0.003663 0.40268 2.16718
97 2NLI LAC 0.03241 0.4127 2.17391
98 4PXD 1AL 0.003784 0.43716 2.17918
99 1LVL FAD 0.0129 0.4206 2.18341
100 4AXD ANP 0.002533 0.4446 2.19298
101 2YC5 6BC 0.003648 0.43659 2.19298
102 4B8V NDG NAG NAG NAG 0.01184 0.40473 2.19298
103 1Q0H NDP 0.009776 0.42937 2.21675
104 1Q0H FOM 0.009265 0.42874 2.21675
105 4P87 4NP 0.009275 0.40917 2.24439
106 3F3E LEU 0.008505 0.42284 2.26804
107 3I28 34N 0.01696 0.4178 2.26804
108 1Z45 GAL 0.001816 0.40501 2.26804
109 4WBD ADP 0.0005801 0.40324 2.26804
110 3T31 DCQ 0.02776 0.41455 2.28833
111 4C6F DOR 0.002495 0.4091 2.29008
112 4C6F NCD 0.002495 0.4091 2.29008
113 2WQP WQP 0.01008 0.40765 2.29226
114 1CSI OAA 0.003464 0.44197 2.29885
115 1CSI CMX 0.003464 0.44197 2.29885
116 2AE2 PTO 0.009018 0.42473 2.30769
117 2AE2 NAP 0.009018 0.42473 2.30769
118 4QN7 G39 0.01148 0.41505 2.30769
119 4QDC ASD 0.01426 0.40202 2.30769
120 1D6H COA 0.005814 0.43598 2.32558
121 4Q3R XA2 0.01402 0.40025 2.33766
122 1TXR BES 0.00001505 0.43399 2.34114
123 3CEV ARG 0.002103 0.40917 2.34114
124 3ZPG 5GP 0.01331 0.4119 2.35602
125 3B20 NAD 0.001599 0.43946 2.35988
126 1RM4 NDP 0.002732 0.43135 2.37389
127 1I0Z OXM 0.0009695 0.46657 2.4024
128 3PJU C2E 0.002603 0.43222 2.40964
129 2Q8M AMP 0.003953 0.40392 2.40964
130 2OWZ F6P 0.02949 0.40106 2.40964
131 4KCF FMN 0.0005229 0.43803 2.42291
132 4KCF AKM 0.00549 0.41408 2.42291
133 4FAI PBD 0.0004253 0.46198 2.42424
134 3PBB PBD 0.0003918 0.48357 2.43161
135 3DG6 MUC 0.001019 0.42935 2.45232
136 1HDR NAD 0.02308 0.4133 2.45902
137 2RGH FAD 0.01414 0.41611 2.47423
138 4G87 UD1 0.02307 0.41137 2.47423
139 1XVV CCQ 0.02659 0.40305 2.47423
140 2AEB ABH 0.00288 0.43922 2.48447
141 2F2U M77 0.001738 0.40517 2.48756
142 3L02 SN0 0.0003009 0.47916 2.50696
143 3L02 CP 0.0003009 0.47916 2.50696
144 4A8H PUW 0.006474 0.42044 2.53521
145 2B4Q NAP 0.004506 0.42647 2.53623
146 3S9K CIT 0.001813 0.4725 2.54237
147 1VJO PLP 0.001607 0.42398 2.54453
148 2Z9V PXM 0.00372 0.40497 2.55102
149 3NYQ AMP 0.001361 0.45254 2.57426
150 3NYQ MCA 0.01331 0.40891 2.57426
151 3ZEI AWH 0.008679 0.4131 2.58065
152 1PEA ACM 0.0006737 0.46464 2.5974
153 3H9E NAD 0.001555 0.44155 2.60116
154 2FOI JPA 0.001411 0.41862 2.60223
155 1L3I SAH 0.01195 0.40456 2.60417
156 3MAG 3MA 0.03088 0.40103 2.60586
157 3S7O LBV 0.01085 0.41152 2.62391
158 2QS8 MET 0.0151 0.40293 2.63158
159 4A8T PAO 0.03409 0.4129 2.65487
160 3A2Q ACA ACA 0.0007277 0.4399 2.68041
161 2BJK NAD 0.01037 0.43171 2.68041
162 2C31 ADP 0.02102 0.42738 2.68041
163 2C31 TZD 0.02842 0.42171 2.68041
164 1XOC VAL ASP SER LYS ASN THR SER SER TRP 0.01548 0.41438 2.68041
165 4C12 ADP 0.04498 0.40218 2.68041
166 1L1Q 9DA 0.001126 0.43662 2.68817
167 3MCT SAH 0.008046 0.40393 2.6936
168 4PLG OXM 0.001847 0.4517 2.69461
169 4PLG NAI 0.001847 0.4517 2.69461
170 1TB4 PEJ 0.01185 0.40865 2.69542
171 1DSS NAD 0.002562 0.43096 2.7027
172 1LL2 UPG 0.008599 0.40276 2.7027
173 2HXT EHM 0.005556 0.4005 2.72109
174 5YAS FAC 0.002501 0.40906 2.72374
175 2Q1A 2KT 0.008308 0.40505 2.73038
176 4CKU P2F 0.0004582 0.48896 2.73556
177 3UEC ALA ARG TPO LYS 0.01135 0.40187 2.73973
178 4DQ2 BTX 0.004686 0.4244 2.7439
179 3MPI GRA 0.03105 0.41029 2.77078
180 1V9N NDP 0.008142 0.41806 2.77778
181 2DTJ THR 0.00006678 0.46957 2.80899
182 1LTH NAD 0.03663 0.4063 2.82132
183 2NU8 COA 0.0245 0.40643 2.83505
184 2RDT FMN 0.0176 0.42231 2.84238
185 2RDT 2RD 0.02412 0.42231 2.84238
186 3K3K A8S 0.003914 0.4148 2.8436
187 1HV9 UD1 0.01027 0.42589 2.85088
188 1HV9 COA 0.02038 0.41498 2.85088
189 3LTW HLZ 0.0009564 0.44171 2.85714
190 1NHZ 486 0.005143 0.41358 2.85714
191 1REO FAD 0.001865 0.45374 2.8866
192 3FC4 EDO 0.01065 0.43156 2.8866
193 1ITZ TPP 0.008103 0.40712 2.8866
194 4EPM AMP 0.01169 0.40056 2.8866
195 3MMR ABH 0.02383 0.41627 2.90557
196 2Q1S NAI 0.01348 0.41975 2.91777
197 4JP3 CIT 0.003689 0.40509 2.92887
198 1T8U UAP SGN IDS SGN 0.008031 0.42496 2.94118
199 1T8U A3P 0.003975 0.41454 2.94118
200 3FXU TSU 0.009834 0.4052 2.95082
201 1M7Y PPG 0.01343 0.40634 2.98851
202 3IBH GSH 0.004102 0.41398 3.00429
203 1FDJ 2FP 0.001628 0.41889 3.0303
204 1CKN GTP 0.003427 0.40109 3.0303
205 1XIU REA 0.001246 0.43061 3.04348
206 1SBZ FMN 0.0117 0.41133 3.04569
207 4B4D FAD 0.003091 0.42082 3.05344
208 1NNU NAD 0.02155 0.43101 3.05677
209 3PNL ADP 0.001555 0.43479 3.08123
210 3WE0 FAD 0.001553 0.4614 3.09278
211 1ZFJ IMP 0.002363 0.45332 3.09278
212 2XCG XCG 0.001065 0.45296 3.09278
213 1V2X SAM 0.001331 0.4337 3.09278
214 3PC3 P1T 0.004882 0.41276 3.09278
215 3V91 UPG 0.006867 0.40844 3.09278
216 2X61 CH 0.01286 0.41071 3.10078
217 1BGQ RDC 0.004512 0.42225 3.11111
218 2ZB3 NDP 0.00009827 0.49503 3.11615
219 1PFK ADP 0.00113 0.43001 3.125
220 3H86 AP5 0.02965 0.40644 3.125
221 1NW5 SAM 0.002177 0.42508 3.1348
222 3ZOD FMN 0.002647 0.43192 3.14136
223 3ZOD HQE 0.002647 0.43192 3.14136
224 1DKU AP2 0.001607 0.44173 3.15457
225 1CBF SAH 0.005263 0.40363 3.15789
226 3IO3 ADP 0.003042 0.41726 3.16092
227 1TDF NAP 0.00722 0.44923 3.16456
228 1TDF FAD 0.02328 0.41159 3.16456
229 1P9B HDA 0.0007489 0.41356 3.16742
230 1P9B IMO 0.008942 0.40691 3.16742
231 4W6Z 8ID 0.001398 0.45578 3.17003
232 1G0N PHH 0.01244 0.4195 3.18021
233 1G0N NDP 0.0164 0.41137 3.18021
234 2Y7G AAE 0.004802 0.4052 3.19149
235 4F9U PBD 0.00009166 0.49992 3.20513
236 1E4E PHY 0.0004481 0.44585 3.207
237 1V7R CIT 0.007364 0.43256 3.22581
238 2G36 TRP 0.001385 0.40265 3.23529
239 1C3V NDP 0.01247 0.40895 3.26531
240 1UBY DMA 0.001377 0.42888 3.26975
241 2V6O FAD 0.01921 0.43032 3.29897
242 1QW9 KHP 0.007928 0.41057 3.29897
243 1OLS TDP 0.03185 0.40385 3.29897
244 3BAZ NAP 0.002744 0.42972 3.3033
245 2C4I BTN 0.001535 0.42476 3.32103
246 4USQ FAD 0.004605 0.43106 3.3241
247 1NVV GNP 0.00412 0.42239 3.3264
248 1ULE GLA GAL NAG 0.0008662 0.45962 3.33333
249 1QS8 IVA VAL VAL STA ALA STA 0.005273 0.40768 3.34347
250 2WIC GNP 0.007644 0.40895 3.37079
251 2IXB A2G 0.01165 0.41789 3.37838
252 2IXB NAD 0.01144 0.41054 3.37838
253 1T57 FMN 0.005506 0.41237 3.39806
254 2D2I NAP 0.001876 0.43493 3.42105
255 2J5S KTA 0.00516 0.40806 3.42205
256 3EM1 TYD 0.01112 0.40222 3.42466
257 1UKW FAD 0.01693 0.40977 3.43008
258 2HV8 GTP 0.002684 0.42851 3.48837
259 4PXE GLV 0.004143 0.42565 3.48837
260 4M37 SAH 0.001057 0.43773 3.49854
261 3TN7 NJP 0.0111 0.41109 3.50195
262 1YBH FAD 0.005375 0.43361 3.50515
263 3B96 MYA 0.002886 0.42014 3.50515
264 3B96 FAD 0.02368 0.40338 3.50515
265 3DLA NXX 0.02693 0.40188 3.50515
266 1TU3 GNP 0.00611 0.41528 3.50877
267 4BAS GNP 0.003128 0.42061 3.51759
268 1R18 SAH 0.002894 0.42378 3.52423
269 3K37 BCZ 0.02696 0.42436 3.52645
270 1O6B ADP 0.03346 0.40288 3.5503
271 1I7L ATP 0.004079 0.41938 3.55987
272 1ML4 PAL 0.003298 0.424 3.57143
273 1VDC FAD 0.00281 0.45368 3.6036
274 2EWM NAD 0.003603 0.4319 3.61446
275 1V6A TRE 0.00162 0.42537 3.61446
276 3DNT ATP 0.01139 0.40103 3.63636
277 3ZRR PXG 0.002168 0.42516 3.64583
278 3PY5 AMP 0.005903 0.40166 3.64964
279 2XVF FAD 0.01335 0.41429 3.66379
280 2XVE FAD 0.04856 0.40568 3.66379
281 1ZUW DGL 0.002755 0.40471 3.67647
282 4GLJ RHB 0.003807 0.43217 3.7037
283 4HA6 FAD 0.02608 0.40693 3.71134
284 4TSK NDP 0.01686 0.42455 3.71429
285 1DLJ UGA 0.004524 0.44609 3.73134
286 1DLJ NAI 0.0344 0.40614 3.73134
287 1YOA FMN 0.006177 0.44598 3.77358
288 3JQM GTP 0.0001826 0.44959 3.82166
289 3D2Y AH0 ALA FGA LYS 0.005868 0.40582 3.83142
290 1SR7 MOF 0.02286 0.41398 3.861
291 2F5T MAL 0.005212 0.40788 3.86266
292 4BI7 PGA 0.0008142 0.42488 3.89105
293 3VPD ANP 0.008149 0.40371 3.91459
294 3Q9T FAY 0.00889 0.42303 3.91753
295 1WDA BAG 0.002117 0.40906 3.91753
296 1FWY UD1 0.01749 0.40383 3.92749
297 4KQI RBZ 0.001472 0.44842 3.93258
298 4KQI NIO 0.001472 0.44842 3.93258
299 3KJI ADP 0.001496 0.4252 3.93701
300 4I71 AGV 0.003245 0.41613 3.93939
301 1GAD NAD 0.01008 0.40766 3.93939
302 2IMF TOM 0.009561 0.4057 3.94089
303 2IMF GSH 0.009561 0.4057 3.94089
304 4C0X FMN 0.01447 0.40108 3.94089
305 1S8F GDP 0.001227 0.44585 3.9548
306 2ZOF BES 0.0001099 0.42941 3.9666
307 4LXH C1E 0.001922 0.42313 3.97112
308 1SB8 UD2 0.006358 0.441 3.97727
309 1SB8 NAD 0.01702 0.41853 3.97727
310 1QDS PGA 0.001861 0.414 3.98406
311 4PVV HO4 0.01256 0.41644 4.01235
312 1KOL NAD 0.02657 0.40021 4.0201
313 2HW1 ANP 0.002798 0.42257 4.02685
314 3IOI 1GW 0.009648 0.41491 4.02685
315 2PUL ACP 0.002135 0.41911 4.03023
316 2XK9 XK9 0.005472 0.42783 4.03727
317 3C1O NAP 0.002513 0.4297 4.04984
318 1FBL HTA 0.001613 0.41639 4.05405
319 1IR1 CAP 0.007854 0.40259 4.06504
320 1IM8 SAI 0.00605 0.40897 4.09836
321 1O7N IND 0.002613 0.42559 4.12371
322 2YNM PMR 0.0117 0.40206 4.12371
323 1LCP PLU 0.0004653 0.46169 4.13223
324 3RO7 TDR 0.003002 0.43111 4.15094
325 2DTX BMA 0.004666 0.4363 4.16667
326 3DCM SAM 0.001319 0.43385 4.16667
327 1Y9Q MED 0.00308 0.42016 4.16667
328 1RYI GOA 0.008631 0.42836 4.18848
329 1RYI FAD 0.02401 0.40682 4.18848
330 1Q7E MET 0.003431 0.42722 4.20561
331 1TF9 PHI 0.00001065 0.51565 4.22535
332 2VHJ ADP 0.001437 0.43236 4.22961
333 1GS5 ANP 0.003497 0.43499 4.26357
334 1GS5 NLG 0.003497 0.43499 4.26357
335 3MBG FAD 0.0131 0.40149 4.31655
336 1TIW FAD 0.003407 0.44123 4.3299
337 1TIW TFB 0.003407 0.44123 4.3299
338 4O8A FAD 0.007027 0.41956 4.3299
339 2NVK FAD 0.01977 0.41058 4.3299
340 2CKM AA7 0.02836 0.4036 4.3299
341 1HEX NAD 0.003761 0.42701 4.34783
342 1R6W 164 0.003694 0.40971 4.34783
343 2ALG DAO 0.007119 0.40609 4.34783
344 2ALG HP6 0.007119 0.40609 4.34783
345 3IL6 B83 0.00371 0.41575 4.36137
346 1HFS L04 0.00528 0.4261 4.375
347 1X54 4AD 0.00263 0.42888 4.37788
348 1TRD PGH 0.001763 0.41755 4.4
349 1KYV RBF 0.004245 0.40944 4.40252
350 2O66 FLC 0.0006666 0.41415 4.44444
351 4NM5 ADP 0.009355 0.40294 4.50928
352 2Q28 TPP 0.003181 0.42706 4.53608
353 1M5B BN1 0.02336 0.41801 4.56274
354 2NW9 FT6 0.0003242 0.42717 4.57516
355 5CG1 NAD BBN 0.01521 0.40016 4.59016
356 1QO0 BMD 0.001645 0.43173 4.59184
357 2WK1 SAH 0.006462 0.40781 4.60993
358 4JK3 NAD 0.009584 0.41128 4.6332
359 1QF5 RPL 0.005915 0.43918 4.64037
360 1QF5 GDP 0.005915 0.43918 4.64037
361 4GQB 0XU 0.03391 0.40784 4.65116
362 1TFZ 869 0.002715 0.42121 4.71698
363 2P1O NLA 0.01333 0.40649 4.74227
364 2P1O IHP 0.01333 0.40649 4.74227
365 1JA9 NDP 0.04993 0.40846 4.74453
366 3U5S FAD 0.001208 0.43737 4.7619
367 3KYF 5GP 5GP 0.001331 0.41961 4.7619
368 1NUS NMN 0.02152 0.41151 4.7619
369 1NUS APC 0.0264 0.4041 4.7619
370 2VAR ANP 0.001492 0.43365 4.79233
371 2VAR KDF 0.0007291 0.43243 4.79233
372 2VAR KDG 0.00267 0.41055 4.79233
373 2YBQ SAH 0.001244 0.43488 4.79452
374 1H65 GDP 0.002029 0.42823 4.81482
375 3LZW NAP 0.003192 0.45842 4.81928
376 3LZW FAD 0.003661 0.43986 4.81928
377 2FH5 GTP 0.00862 0.40096 4.86486
378 1U7Z PMT 0.001101 0.45648 4.86726
379 3CL7 HYN 0.004832 0.41797 4.87013
380 1LFW AEP 0.00002615 0.51118 4.89362
381 2E2R 2OH 0.007397 0.4222 4.91803
382 2GYI HYA 0.04475 0.40851 4.92228
383 3PFG SAM 0.01507 0.41489 4.94297
384 3PFG TLO 0.01507 0.41489 4.94297
385 1K27 MTM 0.009192 0.41581 4.947
386 4FWE FAD 0.00519 0.43817 4.94845
387 3UH0 TSB 0.003128 0.42412 4.94845
388 1FIQ FAD 0.008996 0.41853 5.02283
389 1FIQ SAL 0.007989 0.41841 5.02283
390 1FIQ MTE 0.0182 0.40072 5.02283
391 1UDB UFG 0.04039 0.40365 5.02959
392 1UDB NAD 0.04039 0.40365 5.02959
393 1G79 PLP 0.01072 0.41741 5.04587
394 1G79 FMN 0.009417 0.41653 5.04587
395 3E5H GNP 0.003639 0.42305 5.05618
396 2GGH NLQ 0.02127 0.40341 5.06667
397 1I52 CTP 0.003623 0.43048 5.08475
398 1MDZ PLP 0.01665 0.40475 5.08906
399 1MDZ DCS 0.0193 0.40311 5.08906
400 3TXO 07U 0.002765 0.41238 5.09915
401 4KOA NDP 0.0001556 0.40516 5.1051
402 3WO0 ADP 0.005357 0.4305 5.10638
403 3WO0 ALA 0.005357 0.4305 5.10638
404 2YGN PCF 0.009036 0.41237 5.12821
405 1J5P NAD 0.01068 0.40797 5.13834
406 3L1N PLM 0.008078 0.40025 5.15464
407 1UJ2 ADP 0.009829 0.40669 5.15873
408 1UJ2 C5P 0.01378 0.40056 5.15873
409 4M5P FMN 0.007351 0.40553 5.15971
410 1UXG NAD 0.001476 0.45708 5.17799
411 1UXG FUM 0.001476 0.45708 5.17799
412 2JL1 NAP 0.003333 0.42127 5.22648
413 1D09 PAL 0.01356 0.44961 5.22876
414 1D3V ABH 0.01002 0.40633 5.26316
415 1TUV VK3 0.02137 0.40196 5.26316
416 1YOE RIB 0.001436 0.41549 5.2795
417 1A59 COA 0.002181 0.42304 5.29101
418 1H82 GZZ 0.03465 0.41197 5.29661
419 1H82 FAD 0.03156 0.41197 5.29661
420 3DAG FEG 0.0007227 0.45376 5.30726
421 4RJK PYR 0.003323 0.43279 5.36082
422 3PAK MAN 0.002786 0.41564 5.40541
423 1WUR 8DG 0.004058 0.41778 5.45455
424 1KW6 BPY 0.03431 0.41277 5.47945
425 2Q2V NAD 0.005616 0.42617 5.4902
426 2JAR UMP 0.002472 0.42087 5.5
427 3D3H M4O 0.00319 0.41222 5.5
428 3EAU NDP 0.02028 0.43128 5.50459
429 3EAU PDN 0.02028 0.43128 5.50459
430 1MVQ MMA 0.003863 0.43062 5.50847
431 3SFI 3SF 0.007672 0.42782 5.50847
432 3DDC GNP 0.004149 0.42226 5.52147
433 4DVE BTN 0.002574 0.40858 5.55556
434 3FED BIX 0.0002599 0.49232 5.56701
435 2NXW TPP 0.007489 0.41961 5.56701
436 1ZK7 FAD 0.01354 0.42136 5.56745
437 1NN5 2DT 0.008606 0.41456 5.5814
438 1NN5 ANP 0.008606 0.41456 5.5814
439 4BCS BTN 0.001702 0.42299 5.6
440 1RZM E4P 0.007396 0.41011 5.6213
441 1LYX PGA 0.000155 0.46136 5.64516
442 1G8S MET 0.004438 0.41343 5.65217
443 1P72 ADP 0.0114 0.41061 5.68862
444 4O1M NAD 0.002105 0.44045 5.71429
445 1BUC FAD 0.009879 0.41788 5.74413
446 1H9G COA MYR 0.008346 0.41109 5.76132
447 3PVT 3HC 0.009151 0.42145 5.79151
448 3SI2 PBD 0.0000319 0.52839 5.8104
449 3ICC NAP 0.01374 0.40833 5.88235
450 2P2V CSF 0.04063 0.40282 5.90278
451 3M31 FAD 0.005619 0.41366 5.92783
452 3L0E G58 0.006562 0.41545 5.92885
453 2J7T 274 0.009414 0.41161 5.96026
454 1NJR XYL 0.001495 0.44381 5.98592
455 2GDZ NAD 0.002974 0.43411 5.99251
456 1GR0 NAD 0.01513 0.43522 5.99455
457 2Z9C DTC 0.003897 0.42339 6
458 2Z9C FMN 0.00259 0.42204 6
459 4QED NAP 0.004206 0.42774 6.04839
460 3QVL 5HY 0.006046 0.43335 6.12245
461 1N6B DMZ 0.02298 0.40396 6.13108
462 1BDB NAD 0.01091 0.4408 6.13718
463 4OB6 S2T 0.0004536 0.44565 6.15836
464 1OAA OAA 0.005947 0.43555 6.17761
465 1I2B USQ 0.01332 0.42786 6.18812
466 1I2B UPG 0.01332 0.42786 6.18812
467 1I2B NAD 0.01332 0.42786 6.18812
468 1UAY ADN 0.004372 0.40458 6.19835
469 4F8L GAL 0.01221 0.43029 6.2069
470 1T26 GBD 0.01606 0.44182 6.21118
471 1T26 NAI 0.01606 0.44182 6.21118
472 1JUV NDP 0.01351 0.40232 6.21762
473 3P7I P7I 0.001265 0.4106 6.23053
474 4PO2 ASN ARG LEU LEU LEU THR GLY 0.007338 0.40726 6.38298
475 1IUP ALQ 0.01508 0.4042 6.38298
476 3KMZ EQO 0.001655 0.43883 6.39098
477 3ZV6 NAD 0.0009295 0.46917 6.40569
478 3ZV6 4HB 0.0009825 0.46917 6.40569
479 2Y6P CTP 0.001348 0.41939 6.41026
480 1II5 GLU 0.000644 0.4161 6.43777
481 3MTW M3R 0.002272 0.41804 6.45161
482 1GV0 NAD 0.01028 0.41127 6.45161
483 4NTD FAD 0.004367 0.43652 6.47059
484 4COQ SAN 0.002995 0.42068 6.47773
485 3QQA TCH 0.004969 0.41419 6.48148
486 4IMG NGF 0.004158 0.41375 6.48464
487 1KYQ NAD 0.006732 0.40343 6.56934
488 3QP4 HL0 0.004722 0.40549 6.59341
489 1C0I FAD 0.003918 0.44544 6.61157
490 1C0I BE2 0.003918 0.44544 6.61157
491 3E8N VRA 0.006419 0.43315 6.74487
492 3E8N ATP 0.006419 0.43315 6.74487
493 3TA2 AKG 0.01417 0.4041 6.77966
494 1F5F DHT 0.0009544 0.43522 6.82927
495 3JDW ORN 0.001199 0.42899 6.85579
496 4G28 0W8 0.001157 0.41906 6.86275
497 3CIP ATP 0.002092 0.45467 6.93333
498 2D0V PQQ 0.007065 0.40445 6.94444
499 1GSA ADP 0.01206 0.42527 6.96203
500 1GRO ICT 0.03556 0.40326 6.97115
501 3W54 RNB 0.001962 0.41822 6.99088
502 4MP8 MLI 0.01083 0.41826 7.07965
503 4MP8 NAD 0.01083 0.41826 7.07965
504 2ZSC BTN 0.002521 0.41395 7.0922
505 1NXJ TLA 0.004343 0.408 7.10383
506 4CO3 ATP 0.01963 0.41203 7.14286
507 3DER ALA LYS 0.001473 0.43388 7.24638
508 1P9P SAH 0.002373 0.4273 7.27969
509 1C1L GAL BGC 0.003618 0.42383 7.29927
510 3Q3C NAD 0.03799 0.40557 7.35786
511 2QLX RM4 0.007331 0.41028 7.40741
512 2RHW C0E 0.04574 0.4069 7.42049
513 2OYS FMN 0.0008227 0.44413 7.43802
514 3FC2 IBI 0.003819 0.42951 7.46269
515 4IS0 1R4 0.009585 0.40251 7.46888
516 4G1V FAD 0.01626 0.40028 7.5188
517 3QP6 HL6 0.0009294 0.43092 7.54717
518 1GVF PGH 0.0002946 0.43432 7.69231
519 3BY8 MLT 0.002079 0.43445 7.74648
520 3U4C NDP 0.008039 0.41451 7.82918
521 2YB9 HA0 0.009968 0.41185 7.83505
522 1KDK DHT 0.008725 0.40418 7.9096
523 1LC8 33P 0.008339 0.4111 7.96703
524 2Q97 ATP 0.004437 0.41619 8
525 1QB7 ADE 0.003152 0.40519 8.05085
526 4CMF PXG 0.02577 0.41187 8.07453
527 4NAT 2W5 0.004986 0.43294 8.125
528 4NAT ADP 0.01964 0.43294 8.125
529 4E13 NAD 0.004568 0.41393 8.12721
530 1A8R GTP 0.005392 0.40919 8.1448
531 2HVW DCP 0.003632 0.40774 8.15217
532 2HVW DDN 0.00418 0.40535 8.15217
533 2BKA NDP 0.0001384 0.48877 8.26446
534 1VQ2 DDN 0.001777 0.42449 8.29016
535 1A27 NAP 0.01282 0.4072 8.3045
536 3IU9 T07 0.00765 0.44101 8.33333
537 2R40 20E 0.006919 0.41152 8.36502
538 3OZG SSI 0.004258 0.40727 8.4
539 2CSN CKI 0.001826 0.43706 8.41751
540 4W97 UCA 0.0124 0.40102 8.5
541 2G86 UMP 0.03883 0.40301 8.5443
542 4FR3 0V4 0.02899 0.42023 8.54701
543 4AMV F6R 0.00491 0.40482 8.65979
544 2GSD NAD 0.002279 0.44541 8.70647
545 4DEC 3PG 0.01348 0.40237 8.72093
546 4DEC UDP 0.01348 0.40237 8.72093
547 3JYN NDP 0.006579 0.42322 8.92308
548 2XD9 XD9 0.0394 0.43412 8.98204
549 1JQI FAD 0.01166 0.41583 9.02062
550 1WVG CXY 0.002229 0.42841 9.1922
551 2Y8L ADP 0.03743 0.41943 9.1954
552 2DWU DGL 0.001328 0.41678 9.27835
553 1WKL ADP 0.00963 0.42442 9.48905
554 2FR6 URI 0.001032 0.43605 9.58904
555 2FR6 CTN 0.001156 0.43408 9.58904
556 3EW2 BTN 0.002473 0.4065 9.62963
557 2PT9 2MH 0.000554 0.4706 9.65732
558 2PT9 S4M 0.009846 0.40666 9.65732
559 2A0W DIH 0.01455 0.40896 9.68858
560 1P4C FMN 0.01568 0.43107 9.73684
561 2PFC PLM 0.004185 0.40296 9.83607
562 2WUF KEM 0.01005 0.40327 9.96564
563 1MQ0 BRD 0.002036 0.41758 10
564 1EDO NAP 0.02963 0.41923 10.2459
565 2FWP ICR 0.01971 0.40485 10.3825
566 1T0S BML 0.0003181 0.4796 10.4651
567 4OHB 5HM 0.003347 0.4114 10.5263
568 1I1Q TRP 0.0003482 0.43893 10.9278
569 1Y13 BIO 0.003008 0.40597 11.0497
570 1YGC 905 0.002362 0.42365 11.1111
571 2EFJ 37T 0.001592 0.40834 11.1979
572 3BL6 FMC 0.002466 0.42091 11.3043
573 3HY3 10F 0.005142 0.41525 11.33
574 1EB9 HBA 0.0004576 0.44028 11.4504
575 3T2W BTN 0.001665 0.41586 11.4754
576 2V5E SCR 0.01913 0.4116 11.5
577 4LFL TG6 0.0009888 0.42457 11.6279
578 1EXB NDP 0.0395 0.41437 11.6505
579 1SS4 GSH 0.007156 0.44441 11.7647
580 1SS4 CIT 0.03256 0.43591 11.7647
581 3CQD ATP 0.002916 0.44307 11.9741
582 3MB5 SAM 0.03769 0.40432 12.1569
583 3IAE D7K 0.006777 0.42023 12.2807
584 1RP0 AHZ 0.02442 0.42319 12.3239
585 4BX7 B4F 0.003696 0.42587 12.5
586 2F01 BTQ 0.008823 0.44212 12.5984
587 2F01 BTN 0.03207 0.41592 12.5984
588 1QJC PNS 0.004212 0.4495 12.6582
589 1WXI AMP 0.004741 0.436 12.7273
590 4L6C 0BT 0.005912 0.4111 12.8713
591 1Y0Y L2O VAL VAL ASP 0.000000002645 0.72513 13.0312
592 1FL2 FAD 0.02868 0.4025 13.2258
593 2PWY SAH 0.01181 0.40038 13.5659
594 3ZZS TRP 0.009937 0.41777 13.8462
595 2FEQ 34P 0.004315 0.40916 13.8889
596 2HGZ PBF 0.006472 0.41272 14.7059
597 4G4S LDZ 0.006098 0.40318 14.8699
598 1RKD RIB 0.005632 0.4249 14.8867
599 1RKD ADP 0.005632 0.4249 14.8867
600 1QY1 PRZ 0.003459 0.41883 14.9425
601 1Y52 BTN 0.00574 0.43434 15.0794
602 3F81 STT 0.001413 0.45873 15.3005
603 4U9W COA 0.005262 0.40573 15.4589
604 1EP2 ORO 0.001832 0.44828 15.7088
605 1EP2 FMN 0.002432 0.43495 15.7088
606 1RHC F42 ACN 0.01075 0.41045 15.7576
607 3M0J OAF 0.007726 0.41781 16.6124
608 1R37 NAD 0.004167 0.43293 16.7147
609 1NF8 ISC 0.00343 0.40632 16.9082
610 2GJ3 FAD 0.0131 0.40742 17.5
611 1MVN PCO 0.01027 0.43409 18.6603
612 1EZV SMA 0.01096 0.40612 20.2703
613 1LSS NAD 0.009973 0.40014 21.4286
614 1Y75 NAG 0.003029 0.40314 23.7288
615 4UBP HAE 0.001254 0.43574 23.8095
616 2UZ2 BTN 0.001633 0.4237 23.8462
617 2H6B 3C4 0.01362 0.40078 24
618 2BTO GTP 0.01497 0.4131 24.0741
619 4BMO FMN 0.0003117 0.4689 26.8908
620 1Q7L GLY 0.000001527 0.60985 34.0909
Pocket No.: 2; Query (leader) PDB : 4DYO; Ligand: SD4; 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: 4dyo.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4DYO; Ligand: SD4; 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: 4dyo.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4DYO; Ligand: SD4; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 4dyo.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 4DYO; Ligand: SD4; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 4dyo.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 4DYO; Ligand: SD4; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 4dyo.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 4DYO; Ligand: SD4; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 4dyo.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 4DYO; Ligand: SD4; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 4dyo.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 4DYO; Ligand: SD4; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 4dyo.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 4DYO; Ligand: SD4; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 4dyo.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 4DYO; Ligand: SD4; Similar sites found: 5
This union binding pocket(no: 11) in the query (biounit: 4dyo.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5K8P 6R8 0.00198 0.43653 4.74227
2 4BJ8 BTN 0.01487 0.40385 5.55556
3 5J6Y BGC 0.004654 0.43831 6.91489
4 5J6Y GLC 0.004654 0.43831 6.91489
5 5FTW SAH 0.01884 0.40597 7.42188
Pocket No.: 12; Query (leader) PDB : 4DYO; Ligand: SD4; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 12) in the query (biounit: 4dyo.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 13; Query (leader) PDB : 4DYO; Ligand: SD4; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 13) in the query (biounit: 4dyo.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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