Receptor
PDB id Resolution Class Description Source Keywords
1UF5 1.6 Å EC: 3.5.1.77 CRYSTAL STRUCTURE OF C171A/V236A MUTANT OF N-CARBAMYL-D- AMINO ACID AMIDOHYDROLASE COMPLEXED WITH N-CARBAMYL-D- M ETHIONINE AGROBACTERIUM SP. HYDROLASE
Ref.: CRYSTAL STRUCTURE OF C171A/V236A MUTANT OF N-CARBAMYL-D-AMINO ACID AMIDOHYDROLASE TO BE PUBLISHED
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CDT A:998;
B:999;
Valid;
Valid;
none;
none;
submit data
192.236 C6 H12 N2 O3 S CSCC[...
EDO A:1000;
Invalid;
none;
submit data
62.068 C2 H6 O2 C(CO)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1UF5 1.6 Å EC: 3.5.1.77 CRYSTAL STRUCTURE OF C171A/V236A MUTANT OF N-CARBAMYL-D- AMINO ACID AMIDOHYDROLASE COMPLEXED WITH N-CARBAMYL-D- M ETHIONINE AGROBACTERIUM SP. HYDROLASE
Ref.: CRYSTAL STRUCTURE OF C171A/V236A MUTANT OF N-CARBAMYL-D-AMINO ACID AMIDOHYDROLASE TO BE PUBLISHED
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1UF5 - CDT C6 H12 N2 O3 S CSCC[C@H](....
2 1UF7 - CDV C6 H12 N2 O3 CC(C)[C@H]....
3 1UF8 - ING C10 H12 N2 O3 c1ccc(cc1)....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1UF5 - CDT C6 H12 N2 O3 S CSCC[C@H](....
2 1UF7 - CDV C6 H12 N2 O3 CC(C)[C@H]....
3 1UF8 - ING C10 H12 N2 O3 c1ccc(cc1)....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1UF5 - CDT C6 H12 N2 O3 S CSCC[C@H](....
2 1UF7 - CDV C6 H12 N2 O3 CC(C)[C@H]....
3 1UF8 - ING C10 H12 N2 O3 c1ccc(cc1)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CDT; Similar ligands found: 10
No: Ligand ECFP6 Tc MDL keys Tc
1 CDT 1 1
2 AME 0.666667 0.775
3 FME 0.621622 0.837838
4 SMG 0.55814 0.738095
5 QRG 0.5 0.695652
6 EPM 0.470588 0.673913
7 MET 0.447368 0.756757
8 MED 0.447368 0.756757
9 M8F 0.438596 0.717391
10 NCD 0.421053 0.690476
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1UF5; Ligand: CDT; Similar sites found: 652
This union binding pocket(no: 1) in the query (biounit: 1uf5.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1SS4 CIT 0.0153 0.45403 None
2 2ALG DAO 0.0006268 0.44305 None
3 2ALG HP6 0.0006268 0.44305 None
4 1SS4 GSH 0.01104 0.43583 None
5 4CO3 ATP 0.01037 0.42002 None
6 4F4S EFO 0.002949 0.41168 None
7 2VAR KDF 0.0006963 0.42739 0.990099
8 2VAR KDG 0.001157 0.41911 0.990099
9 2VAR ANP 0.002734 0.41791 0.990099
10 1D6H COA 0.001258 0.45997 1.32013
11 1D09 PAL 0.01749 0.44012 1.32013
12 1RZM E4P 0.001931 0.43866 1.32013
13 1RZM PEP 0.00269 0.41327 1.32013
14 1A8R GTP 0.005267 0.40489 1.35747
15 3I51 45C 0.002042 0.40984 1.48148
16 1SG4 CO8 0.0008514 0.44675 1.53846
17 1ZK4 NAP 0.02191 0.42574 1.59363
18 1ZK4 AC0 0.02191 0.42574 1.59363
19 2H6B 3C4 0.02613 0.41059 1.6
20 1VDC FAD 0.001329 0.46279 1.65016
21 1V35 NAI 0.001809 0.45115 1.65016
22 1TDF NAP 0.008738 0.4409 1.65016
23 1TDF FAD 0.006243 0.43265 1.65016
24 2H8Z 8CM 0.003278 0.42597 1.65016
25 2H8Z FMN 0.003278 0.42597 1.65016
26 3I28 34N 0.009672 0.42437 1.65016
27 2XCG XCG 0.004129 0.42323 1.65016
28 1SQ5 ADP 0.0004603 0.42295 1.65016
29 2CKM AA7 0.008559 0.42223 1.65016
30 2XBN PMP 0.006258 0.41023 1.65016
31 1KYZ SAH 0.004029 0.40751 1.65016
32 3S7O LBV 0.01105 0.40687 1.65016
33 4IU0 ABH 0.006045 0.40607 1.65016
34 2Q37 3AL 0.006004 0.40471 1.65746
35 3Q3C NAD 0.009467 0.42875 1.67224
36 1S8F GDP 0.004285 0.41836 1.69492
37 1UJ5 5RP 0.001548 0.41436 1.76211
38 3U4C NDP 0.004092 0.42203 1.77936
39 1EYE PMM 0.0007051 0.4163 1.78571
40 1BDB NAD 0.009449 0.43934 1.80505
41 1ZUW DGL 0.0003718 0.42849 1.83824
42 4BI7 PGA 0.001374 0.40823 1.94553
43 4DEM YS4 0.00249 0.47053 1.9802
44 2HGZ PBF 0.0006015 0.44942 1.9802
45 1P9B IMO 0.0006136 0.44908 1.9802
46 3F3E LEU 0.001729 0.44762 1.9802
47 1AL8 DHP 0.006198 0.44398 1.9802
48 2EJU SAH 0.0008002 0.43474 1.9802
49 1PL6 572 0.002857 0.4337 1.9802
50 2EFJ SAH 0.0007629 0.43332 1.9802
51 3B96 MYA 0.001589 0.42523 1.9802
52 1MG1 MAL 0.002003 0.42506 1.9802
53 1GSA ADP 0.01147 0.42196 1.9802
54 3ZEI AWH 0.004386 0.4208 1.9802
55 1JIL 485 0.002316 0.41884 1.9802
56 3M0J OAF 0.00681 0.41557 1.9802
57 3HU3 AGS 0.02767 0.41333 1.9802
58 1UOU CMU 0.002067 0.4121 1.9802
59 1XVV CCQ 0.01343 0.41195 1.9802
60 1GSA GSH 0.01541 0.41125 1.9802
61 1CKM GTP 0.004359 0.4081 1.9802
62 3CKZ ZMR 0.02014 0.40624 1.9802
63 4QVH COA 0.01039 0.40345 1.9802
64 1NML CIT 0.001453 0.40146 1.9802
65 3DAG FEG 0.01069 0.40084 1.9802
66 2JAR UMP 0.006059 0.40062 2
67 3S2Y FMN 0.004407 0.40599 2.01005
68 2HW1 ANP 0.005774 0.40513 2.01342
69 1VR0 3SL 0.002012 0.40213 2.02429
70 3QVL 5HY 0.02625 0.4084 2.04082
71 3PXP MYR 0.002653 0.41248 2.05479
72 4F8L GAL 0.02494 0.41613 2.06897
73 1JYQ MAZ PTR PTM ASN 0.008802 0.4286 2.08333
74 1NJR XYL 0.0004048 0.46146 2.11268
75 3N5O GSH 0.0003005 0.45123 2.12766
76 2Y7G AAE 0.0007821 0.43057 2.12766
77 4FR3 LYS ARG ARG LYS SEP VAL 0.003392 0.45904 2.13675
78 4FR3 0V4 0.01363 0.43149 2.13675
79 2ORV 4TA 0.00184 0.43 2.13675
80 1NNU NAD 0.02923 0.42088 2.18341
81 1NNU TCT 0.02923 0.42088 2.18341
82 4B8V NDG NAG NAG NAG 0.003845 0.42026 2.19298
83 1T8U UAP SGN IDS SGN 0.01176 0.41342 2.20588
84 1I2L DCS 0.003428 0.41218 2.23048
85 1DAK DPU 0.01746 0.408 2.23214
86 1DAK ADP 0.01746 0.408 2.23214
87 1POC GEL 0.002925 0.41084 2.23881
88 3MAG 3MA 0.000658 0.48828 2.31023
89 2IXB NAD 0.0003075 0.47103 2.31023
90 2IXB A2G 0.000515 0.47103 2.31023
91 3FXU TSU 0.0003247 0.46013 2.31023
92 1REO FAD 0.0009911 0.46013 2.31023
93 4PLG OXM 0.001107 0.4558 2.31023
94 4PLG NAI 0.001107 0.4558 2.31023
95 2RGH FAD 0.003042 0.44047 2.31023
96 1H82 GZZ 0.007216 0.43901 2.31023
97 1H82 FAD 0.006478 0.43901 2.31023
98 1DSS NAD 0.001789 0.43213 2.31023
99 1C0I BE2 0.006226 0.43183 2.31023
100 1C0I FAD 0.006226 0.43183 2.31023
101 1DLJ NAI 0.007496 0.43166 2.31023
102 1DLJ UGA 0.007496 0.43166 2.31023
103 1R6D NAD 0.009187 0.43008 2.31023
104 2BII MTV 0.002157 0.42555 2.31023
105 1K6M AGS 0.002158 0.42378 2.31023
106 2BLE 5GP 0.01635 0.42239 2.31023
107 4ARF IP8 GLY PRO ALA 0.001286 0.42231 2.31023
108 1FBL HTA 0.0008908 0.42063 2.31023
109 2YB9 HA0 0.00485 0.42035 2.31023
110 2NCD ADP 0.002687 0.41913 2.31023
111 4HVK PMP 0.0009793 0.41302 2.31023
112 1R6D DAU 0.02168 0.4128 2.31023
113 1A59 COA 0.003404 0.41035 2.31023
114 1P4C FMN 0.03673 0.41005 2.31023
115 2F2U M77 0.00173 0.40991 2.31023
116 3EE4 MYR 0.004425 0.40968 2.31023
117 2HGS ADP 0.00516 0.40879 2.31023
118 2CE7 ADP 0.002699 0.40771 2.31023
119 1QPB TPP 0.008382 0.40655 2.31023
120 1QPB PYM 0.008908 0.40547 2.31023
121 4EPL JAI 0.003787 0.40439 2.31023
122 4Q3R XA2 0.008728 0.40439 2.31023
123 4KXV TDP DX5 0.0227 0.40124 2.31023
124 4AF0 IMP 0.03507 0.40061 2.31023
125 4BT5 23B 0.001523 0.40599 2.33463
126 3ICC NAP 0.006443 0.4178 2.35294
127 3MCT SAH 0.001373 0.42967 2.3569
128 3MCT 3MC 0.0002424 0.428 2.3569
129 3K3K A8S 0.00645 0.40144 2.36967
130 1QDS PGA 0.003126 0.40033 2.39044
131 3O03 NAP 0.04199 0.40262 2.4055
132 4QED NAP 0.01236 0.40364 2.41935
133 3T2W BTN 0.002945 0.4013 2.45902
134 4C0X AQN 0.01341 0.40339 2.46305
135 2RHW C0E 0.02158 0.41823 2.4735
136 1L3I SAH 0.005991 0.41246 2.60417
137 3ZOD HQE 0.005712 0.4133 2.6178
138 3ZOD FMN 0.005712 0.4133 2.6178
139 2NX1 PEP 0.006477 0.4125 2.62172
140 2NX1 RP5 0.01042 0.40408 2.62172
141 3OIG IMJ 0.004457 0.42567 2.63158
142 3OIG NAD 0.01649 0.42222 2.63158
143 3K56 IS3 0.004106 0.4008 2.63158
144 3WO0 ALA 0.0007686 0.46127 2.64026
145 3WO0 ADP 0.0007686 0.46127 2.64026
146 1E4E PHY 0.0003413 0.44432 2.64026
147 1E4E ADP 0.0005062 0.44245 2.64026
148 3E8N VRA 0.003454 0.44011 2.64026
149 3E8N ATP 0.003454 0.44011 2.64026
150 1EP2 ORO 0.002642 0.43635 2.64026
151 3BAZ NAP 0.001501 0.4352 2.64026
152 1UXG NAD 0.00379 0.43431 2.64026
153 1UXG FUM 0.00379 0.43431 2.64026
154 2PT9 2MH 0.00296 0.43429 2.64026
155 1EP2 FMN 0.002036 0.43295 2.64026
156 1GS5 NLG 0.003262 0.43131 2.64026
157 1GS5 ANP 0.003262 0.43131 2.64026
158 2PT9 S4M 0.002338 0.42745 2.64026
159 2GYI HYA 0.01743 0.42367 2.64026
160 4O1M NAD 0.004465 0.42183 2.64026
161 3SQG TP7 0.001327 0.4218 2.64026
162 3A2Q ACA ACA 0.00155 0.42147 2.64026
163 2DKH 3HB 0.008406 0.42063 2.64026
164 3W54 RNB 0.001249 0.4204 2.64026
165 1ECC PCP 0.002941 0.42019 2.64026
166 1TOI HCI 0.004553 0.42013 2.64026
167 2DKH FAD 0.006103 0.41999 2.64026
168 4BJZ FAD 0.02681 0.41855 2.64026
169 4BJZ P3A 0.02681 0.41855 2.64026
170 3DER ALA LYS 0.003388 0.41425 2.64026
171 1H6C NDP 0.01133 0.41311 2.64026
172 1X8X TYR 0.001469 0.41254 2.64026
173 1BUC FAD 0.01098 0.41158 2.64026
174 1O7N IND 0.004776 0.41012 2.64026
175 1FWY UD1 0.0103 0.40933 2.64026
176 1VCO GLN 0.007436 0.40866 2.64026
177 2RDT FMN 0.02947 0.40825 2.64026
178 1H6C SIN 0.01672 0.40787 2.64026
179 1CL2 PPG 0.004438 0.4078 2.64026
180 3P7I P7I 0.001105 0.40659 2.64026
181 4QN7 G39 0.0151 0.40575 2.64026
182 1YB5 NAP 0.01459 0.4053 2.64026
183 1H2B NAJ 0.01612 0.40238 2.64026
184 3TFC PEP 0.001435 0.40204 2.64026
185 2YGO PCF 0.003488 0.42486 2.65957
186 3W9F I3P 0.01246 0.41334 2.69231
187 1G3M PCQ 0.01636 0.42402 2.72109
188 3TN7 NJP 0.002215 0.4357 2.72374
189 4I9A NCN 0.004357 0.42091 2.77778
190 2I7C AAT 0.002927 0.43327 2.82686
191 1HDR NAD 0.002299 0.45331 2.86885
192 4AXD ANP 0.001094 0.45482 2.9703
193 2QQF A1R 0.001139 0.44002 2.9703
194 3LZW FAD 0.00287 0.43943 2.9703
195 4MP8 MLI 0.003029 0.43734 2.9703
196 4MP8 NAD 0.003029 0.43734 2.9703
197 1SOW NAD 0.002498 0.43486 2.9703
198 4P53 NAI 0.002293 0.43086 2.9703
199 1KBI FMN 0.00345 0.42217 2.9703
200 1KBI PYR 0.00345 0.42217 2.9703
201 3NYQ AMP 0.005486 0.42192 2.9703
202 1RKD RIB 0.00554 0.42052 2.9703
203 1RKD ADP 0.00554 0.42052 2.9703
204 3NYQ MCA 0.005552 0.42049 2.9703
205 3WBF API 0.006466 0.41894 2.9703
206 3WBF NAP 0.005108 0.41809 2.9703
207 1KBJ FMN 0.004314 0.41674 2.9703
208 2AQJ FAD 0.02349 0.4153 2.9703
209 4KCF FMN 0.002341 0.41237 2.9703
210 2NP9 YE1 0.008908 0.41196 2.9703
211 1H6W SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 0.02134 0.41128 2.9703
212 3TXO 07U 0.002328 0.41015 2.9703
213 4KCF AKM 0.005563 0.40916 2.9703
214 1RYD NDP 0.01497 0.40797 2.9703
215 2AQJ TRP 0.03366 0.40761 2.9703
216 2CJH AKG 0.003949 0.40369 2.9703
217 1QZZ SAM 0.003573 0.40309 2.9703
218 1A5Z NAD 0.03223 0.40223 2.9703
219 1Q3Q ANP 0.0432 0.40206 2.9703
220 2H6T IVA VAL VAL STA ALA STA 0.005545 0.40014 2.9703
221 3UST FAD 0.002082 0.41432 2.99625
222 3UIE ANP 0.002227 0.40582 3
223 3UIE ADX 0.003893 0.40168 3
224 2VBQ BSJ 0.001256 0.44984 3.0303
225 4IEN COA 0.007427 0.41524 3.06748
226 4IEN GDP 0.007674 0.41085 3.06748
227 4IMG NGF 0.002543 0.41725 3.07167
228 2YBQ SAH 0.001345 0.42806 3.08219
229 1V2X SAM 0.000595 0.44188 3.09278
230 2WUF KEM 0.003846 0.41554 3.09278
231 1T26 GBD 0.03747 0.42025 3.10559
232 1T26 NAI 0.03747 0.42025 3.10559
233 1JUV NDP 0.0011 0.44225 3.10881
234 3DCM SAM 0.0009008 0.43485 3.125
235 1RP0 AHZ 0.007121 0.44376 3.16901
236 2Q1S NAI 0.01381 0.41508 3.18302
237 3ZV6 NAD 0.01114 0.41732 3.20285
238 3ZV6 4HB 0.0117 0.41732 3.20285
239 1G79 PLP 0.01669 0.40495 3.21101
240 2DWU DGL 0.000534 0.42284 3.26087
241 3PMD 11A 0.001757 0.40965 3.26797
242 2FWP ICR 0.006209 0.42198 3.27869
243 1KYQ NAD 0.0002804 0.4524 3.28467
244 4LWA Q13 0.001375 0.45409 3.30033
245 1R37 NAD 0.001002 0.45393 3.30033
246 9LDT NAD 0.0013 0.44524 3.30033
247 3JDW ORN 0.0005478 0.43647 3.30033
248 2BJK NAD 0.007051 0.43479 3.30033
249 3OND ADN 0.005922 0.4345 3.30033
250 3OND NAD 0.005922 0.4345 3.30033
251 1V9N NDP 0.002613 0.43405 3.30033
252 1GEX PLP HSA 0.002383 0.42711 3.30033
253 9LDB NAD 0.004271 0.42394 3.30033
254 3Q9T FAY 0.00709 0.42277 3.30033
255 3LST SAH 0.001317 0.417 3.30033
256 3GE7 AFQ 0.007595 0.41603 3.30033
257 3ZRR PXG 0.003338 0.41263 3.30033
258 4C6F NCD 0.001628 0.41088 3.30033
259 4C6F DOR 0.001628 0.41088 3.30033
260 1TUF AZ1 0.005956 0.40956 3.30033
261 2NLI FMN 0.02419 0.40924 3.30033
262 2NLI LAC 0.02419 0.40924 3.30033
263 3L02 SN0 0.01049 0.40901 3.30033
264 3L02 CP 0.01049 0.40901 3.30033
265 2OYS FMN 0.000702 0.44112 3.30579
266 3ZS7 ATP 0.001176 0.43422 3.33333
267 1MVN PCO 0.01872 0.41809 3.34928
268 4NVP 7CH 0.01485 0.40606 3.34928
269 3H22 B53 0.00307 0.40063 3.367
270 3RFV 15L 0.004116 0.41906 3.37079
271 2R40 20E 0.00125 0.43672 3.38346
272 2R40 EPH 0.01564 0.40002 3.38346
273 2QA1 FAD 0.01208 0.40983 3.4
274 1X1T NAD 0.009968 0.43828 3.46154
275 3IU9 T07 0.0353 0.40667 3.47222
276 1JCM 137 0.001673 0.4379 3.4749
277 1OAA OAA 0.005572 0.43212 3.4749
278 2YC5 6BC 0.005287 0.42492 3.50877
279 3L0E G58 0.008682 0.40593 3.55731
280 1FX8 BOG 0.004258 0.40456 3.55872
281 1MQ0 BRD 0.0005259 0.43463 3.57143
282 1G41 ADP 0.01309 0.42398 3.6036
283 3KO8 NAD 0.0001067 0.49152 3.63036
284 4QDC ASD 0.0007572 0.44962 3.63036
285 3UR0 SVR 0.003424 0.44218 3.63036
286 4NE2 ADP 0.002214 0.43831 3.63036
287 2Q28 ADP 0.0009179 0.43453 3.63036
288 4IOK ADP 0.001733 0.43427 3.63036
289 2Q28 TPP 0.002108 0.42926 3.63036
290 4IOK XPO 0.002054 0.42639 3.63036
291 4GZP G39 0.00639 0.42571 3.63036
292 3CQD ATP 0.006326 0.42383 3.63036
293 4BG1 OGA 0.002307 0.42081 3.63036
294 4BG1 IVL 0.002307 0.42081 3.63036
295 4QDF 30Q 0.004649 0.41765 3.63036
296 3DNT ATP 0.003731 0.41607 3.63036
297 4MZ7 DTP 0.00683 0.41424 3.63036
298 4MZ7 DGT 0.006907 0.41404 3.63036
299 3T1A 5MA 0.002741 0.414 3.63036
300 4NE2 SH2 0.0112 0.41122 3.63036
301 3M31 FAD 0.005345 0.40985 3.63036
302 4PVV HO4 0.01515 0.40874 3.63036
303 3IL6 B83 0.004396 0.40796 3.63036
304 4KQI NIO 0.01128 0.4065 3.63036
305 4KQI RBZ 0.01128 0.4065 3.63036
306 1YBH FAD 0.0191 0.40539 3.63036
307 4IVG ANP 0.007989 0.40289 3.63036
308 4J7H TRH 0.005973 0.40275 3.63036
309 4J7H TLO 0.006684 0.40262 3.63036
310 1E7S NAP 0.01574 0.40168 3.63036
311 2C4I BTN 0.004026 0.40337 3.69004
312 3EW2 BTN 0.001537 0.40655 3.7037
313 3QQA TCH 0.00818 0.40086 3.7037
314 2GDZ NAD 0.004211 0.42288 3.74532
315 1FS5 TLA 0.006085 0.4129 3.7594
316 3V91 UPG 0.00808 0.42861 3.78007
317 3PNL ADP 0.002574 0.42075 3.79147
318 3I0O ADP 0.0007346 0.42375 3.83481
319 2YVO AMP 0.006117 0.40586 3.84615
320 3QP4 HL0 0.003605 0.40521 3.84615
321 4HA6 FAD 0.001379 0.45824 3.9604
322 3UER BTU 0.0001816 0.44931 3.9604
323 3UER TUR 0.0001816 0.44931 3.9604
324 1UDB NAD 0.004425 0.44253 3.9604
325 1UDB UFG 0.004425 0.44253 3.9604
326 3JYN NDP 0.002302 0.43761 3.9604
327 4DEC UDP 0.002056 0.43127 3.9604
328 4DEC 3PG 0.002056 0.43127 3.9604
329 2IMP NAI 0.02827 0.42058 3.9604
330 4A3R CIT 0.009685 0.41387 3.9604
331 3P9C SAH 0.009917 0.41003 3.9604
332 2C7G ODP 0.03147 0.40697 3.9604
333 2C7G FAD 0.03256 0.40697 3.9604
334 2DDH HXD 0.005751 0.4052 3.9604
335 1HV9 UD1 0.01298 0.40516 3.9604
336 4L7I SAM 0.004985 0.40192 3.9604
337 2DDH FAD 0.01683 0.4016 3.9604
338 1IYE PGU 0.01484 0.40156 3.9604
339 3OZG SSI 0.002121 0.41401 4
340 3GEG NAD 0.005209 0.41635 4.04858
341 1NZY BCA 0.001483 0.43855 4.08922
342 1WUR 8DG 0.004664 0.41053 4.09091
343 3CXO 1N5 0.0125 0.40466 4.09639
344 3PFG TLO 0.01617 0.40944 4.18251
345 3PFG SAM 0.01617 0.40944 4.18251
346 4PTZ FMN 0.001695 0.4221 4.18848
347 1DR1 NAP 0.0177 0.40487 4.2328
348 1DR1 HBI 0.0177 0.40487 4.2328
349 1K27 MTM 0.002065 0.43828 4.24028
350 3VPD ANP 0.001311 0.43046 4.27046
351 1I9G SAM 0.03005 0.40203 4.28571
352 2Q1W NAD 0.003629 0.42814 4.29043
353 3BK2 U5P 0.001967 0.41045 4.29043
354 3HRD FAD 0.04088 0.40678 4.29043
355 1UBY DMA 0.004171 0.40491 4.29043
356 3F81 STT 0.01007 0.42026 4.37158
357 2CSN CKI 0.003602 0.41989 4.3771
358 1A5V Y3 0.0009918 0.40026 4.43038
359 1M5B BN1 0.003112 0.45318 4.56274
360 1FIQ MTE 0.0005074 0.46059 4.56621
361 1FIQ SAL 0.00334 0.42963 4.56621
362 1FIQ FAD 0.009693 0.41275 4.56621
363 4M5P FMN 0.00006272 0.48233 4.62046
364 1I2B UPG 0.0008898 0.4757 4.62046
365 1I2B NAD 0.0008898 0.4757 4.62046
366 1I2B USQ 0.0008898 0.4757 4.62046
367 1PEA ACM 0.001073 0.45825 4.62046
368 4OYA 1VE 0.01854 0.43648 4.62046
369 1OTH PAO 0.00265 0.4338 4.62046
370 1RYI GOA 0.005733 0.43159 4.62046
371 1PFK ADP 0.0007914 0.43037 4.62046
372 4KQL 1SG 0.01553 0.42469 4.62046
373 4CCO OGA 0.001659 0.42164 4.62046
374 4MOB COA 0.007757 0.42111 4.62046
375 4NES UDP 0.00193 0.4178 4.62046
376 1RYI FAD 0.01143 0.41683 4.62046
377 2YHW BM3 0.006169 0.41606 4.62046
378 3P3N AKG 0.004488 0.41589 4.62046
379 4MWV BCZ 0.009808 0.41576 4.62046
380 4M37 SAH 0.00452 0.40749 4.62046
381 2AMV BIN 0.03099 0.40447 4.62046
382 1UMP SQA 0.01007 0.40189 4.62046
383 2WA4 069 0.001941 0.40066 4.62046
384 1D3V ABH 0.01085 0.40058 4.62046
385 3R35 4CO 0.001781 0.4396 4.63576
386 3ZUY TCH 0.001122 0.4169 4.64396
387 1XHL NDP 0.009546 0.41071 4.7138
388 1F74 NAY 0.0009623 0.42713 4.77816
389 1G8S MET 0.002476 0.42695 4.78261
390 4INB 1F6 0.001371 0.42773 4.79452
391 1NVU GTP 0.02756 0.40955 4.81928
392 2QDT I38 0.003709 0.40473 4.83271
393 1T57 FMN 0.006252 0.40549 4.85437
394 2JBZ COA 0.02075 0.40948 4.8951
395 2OHV NHL 0.002018 0.40187 4.92424
396 3PC3 P1T 0.003479 0.41379 4.93359
397 3K37 BCZ 0.001371 0.48011 4.9505
398 3AHC TPP 0.001466 0.44169 4.9505
399 1NW5 SAM 0.0006832 0.43954 4.9505
400 1QS8 IVA VAL VAL STA ALA STA 0.002179 0.42362 4.9505
401 3UXL CFI 0.01045 0.4185 4.9505
402 2VHJ ADP 0.002423 0.41807 4.9505
403 3CL7 HYN 0.004415 0.41478 4.9505
404 3IAE D7K 0.007268 0.4144 4.9505
405 1FP2 HMO 0.002377 0.41212 4.9505
406 2OWZ F6P 0.002909 0.41094 4.9505
407 2TPL HPP 0.007233 0.40769 4.9505
408 1WVG CXY 0.006284 0.4054 4.9505
409 1X54 4AD 0.008028 0.40436 4.9505
410 4C1K PEP 0.001441 0.40165 4.96183
411 2HNK SAH 0.003244 0.41312 5.02092
412 4EKV BTN 0.01023 0.41063 5.03145
413 1I52 CTP 0.01341 0.40217 5.08475
414 2Q2V NAD 0.006103 0.41999 5.09804
415 1Y9Q MED 0.0002861 0.46704 5.20833
416 2EWM NAD 0.004857 0.42163 5.22088
417 4GYW UDP 0.0002705 0.47481 5.28053
418 4R33 SAH 0.001003 0.45261 5.28053
419 4R33 TRP 0.001003 0.45261 5.28053
420 2V6O FAD 0.009251 0.44091 5.28053
421 4CKU P2F 0.0079 0.42904 5.28053
422 2J0W ADP 0.001051 0.42796 5.28053
423 1I7L ATP 0.001884 0.42789 5.28053
424 2AEB ABH 0.006813 0.41858 5.28053
425 2XK9 XK9 0.01875 0.41785 5.28053
426 2PTR 2SA 0.005693 0.41336 5.28053
427 4NTD FAD 0.01818 0.40536 5.28053
428 1N1G BCP 0.01598 0.40471 5.28053
429 1HEX NAD 0.01088 0.40331 5.28053
430 4IAE 1DX 0.008205 0.43188 5.29101
431 3IIS PID 0.04331 0.40838 5.29801
432 4KGM ATP 0.003039 0.40335 5.30612
433 3IOI 1GW 0.01283 0.40537 5.36913
434 2BNF UTP 0.0112 0.41432 5.39419
435 2BNE U5P 0.01366 0.40594 5.39419
436 4JK3 NAD 0.009508 0.40704 5.40541
437 2PWY SAH 0.004353 0.4134 5.42636
438 1N9L FMN 0.0003058 0.40038 5.50459
439 3B1F NAD 0.002815 0.41921 5.51724
440 2QLX RM4 0.006496 0.4152 5.55556
441 1NN5 ANP 0.001581 0.44034 5.5814
442 1NN5 2DT 0.001581 0.44034 5.5814
443 1R0X ATP 0.01529 0.40333 5.59441
444 2HJ3 FAD 0.002702 0.41811 5.6
445 2YVF NAD 0.009865 0.43358 5.61056
446 2YVF FAD 0.009537 0.43358 5.61056
447 1RHC F42 ACN 0.003444 0.42646 5.61056
448 1E5F PLP 0.001242 0.42289 5.61056
449 1O0S NAI 0.002611 0.42224 5.61056
450 1ZK7 FAD 0.02483 0.40566 5.61056
451 2ZSC BTN 0.001012 0.42385 5.67376
452 2WK1 SAH 0.007722 0.40015 5.67376
453 4B4D FAD 0.004936 0.40781 5.72519
454 2QIA U20 0.03002 0.40686 5.72519
455 1YRX FMN 0.001087 0.40184 5.78512
456 4LSJ LSJ 0.001411 0.4292 5.81395
457 1C1L GAL BGC 0.0008192 0.45522 5.83942
458 1TU3 GNP 0.006474 0.40963 5.84795
459 3SFI 3SF 0.008061 0.42239 5.9322
460 1CSI CMX 0.00262 0.44219 5.94059
461 3NKS FAD 0.002823 0.43864 5.94059
462 1U5R ATP 0.0004844 0.43851 5.94059
463 1OYB HBA 0.001465 0.43722 5.94059
464 4W6Z 8ID 0.003213 0.43514 5.94059
465 1TIW FAD 0.003853 0.43401 5.94059
466 1TIW TFB 0.003853 0.43401 5.94059
467 1OYB FMN 0.002103 0.42598 5.94059
468 4A6D SAM 0.001838 0.42276 5.94059
469 1H9A NAP 0.007674 0.417 5.94059
470 2HXT EHM 0.001786 0.41451 5.94059
471 4O8A FAD 0.009529 0.40954 5.94059
472 1FA2 DOM 0.00841 0.40922 5.94059
473 1P72 ADP 0.01365 0.40307 5.94059
474 1CSI OAA 0.04856 0.40108 5.94059
475 1Y13 BIO 0.001558 0.4116 6.07735
476 2B4Q NAP 0.005248 0.41895 6.15942
477 2DTJ THR 0.0005526 0.42835 6.17978
478 1BGQ RDC 0.005879 0.41279 6.22222
479 4FWE FAD 0.004409 0.4365 6.27063
480 1JQI FAD 0.00351 0.43352 6.27063
481 2GSD NAD 0.004078 0.42965 6.27063
482 1XOC VAL ASP SER LYS ASN THR SER SER TRP 0.007658 0.42334 6.27063
483 2PTZ PAH 0.002229 0.41319 6.27063
484 1JQI CAA 0.005927 0.40965 6.27063
485 4K5S PM0 0.02389 0.40874 6.27063
486 4K5S FAD 0.01136 0.40874 6.27063
487 1UJ2 ADP 0.002613 0.4255 6.34921
488 1NUS APC 0.01124 0.4162 6.34921
489 4PO2 ASN ARG LEU LEU LEU THR GLY 0.004399 0.41154 6.38298
490 2PNZ UDP 0.008851 0.40415 6.4257
491 4AIG FLX 0.002012 0.40746 6.46766
492 3BL6 FMC 0.003715 0.40888 6.52174
493 3O7B SAH 0.00013 0.46534 6.55738
494 4TMK T5A 0.02475 0.43402 6.57277
495 3CF6 SP1 0.001891 0.41591 6.58683
496 3FC4 EDO 0.002329 0.45642 6.60066
497 2YPO PHE 0.001463 0.44173 6.60066
498 1Z45 NAD 0.001476 0.44157 6.60066
499 1SB8 UD2 0.009047 0.42962 6.60066
500 1SB8 NAD 0.00766 0.42962 6.60066
501 1QF5 GDP 0.00788 0.42909 6.60066
502 1QF5 RPL 0.00788 0.42909 6.60066
503 1I0Z NAI 0.003337 0.42703 6.60066
504 1R27 MGD 0.006393 0.42256 6.60066
505 3HAZ FAD 0.005259 0.4202 6.60066
506 4OB6 S2T 0.002984 0.40835 6.60066
507 1Y42 TYR 0.004446 0.40458 6.60066
508 3HAZ NAD 0.01235 0.40365 6.60066
509 1TB4 PEJ 0.01283 0.40296 6.60066
510 4U9W COA 0.003378 0.40844 6.76329
511 2XVF FAD 0.0008999 0.45959 6.93069
512 2XVE FAD 0.00735 0.43933 6.93069
513 1Q0H FOM 0.00576 0.4333 6.93069
514 1Q0H NDP 0.006503 0.43273 6.93069
515 1UM0 FMN 0.01064 0.41891 6.93069
516 1VE3 SAM 0.00384 0.40832 7.04846
517 1G0N NDP 0.004317 0.43191 7.06714
518 1G0N PHH 0.005273 0.43125 7.06714
519 4HE2 AMP 0.01075 0.40736 7.10059
520 1SNY NAP 0.009065 0.40516 7.11611
521 1WHT BZS 0.0002864 0.40127 7.18954
522 1LYX PGA 0.003557 0.40317 7.25806
523 1FL2 FAD 0.0005018 0.47384 7.26073
524 2C31 TZD 0.006795 0.44647 7.26073
525 2NVK FAD 0.003097 0.44115 7.26073
526 2C31 ADP 0.01511 0.43001 7.26073
527 1EXB NDP 0.02343 0.42125 7.26073
528 3EAU NDP 0.02941 0.41978 7.26073
529 3EAU PDN 0.02941 0.41978 7.26073
530 4G1V FAD 0.006904 0.41137 7.26073
531 4N02 FNR 0.03266 0.40488 7.26073
532 4RJK TDL 0.01174 0.40454 7.26073
533 3IO3 ADP 0.005934 0.40097 7.26073
534 3H86 AP5 0.04166 0.40048 7.26073
535 3CEV ARG 0.001642 0.40511 7.35786
536 1K97 CIR 0.01089 0.44086 7.59076
537 1K97 ASP 0.01089 0.44086 7.59076
538 2YFT DQR 0.002087 0.41428 7.59076
539 2NU8 COA 0.007475 0.40856 7.59076
540 4OHB 5HM 0.003205 0.40716 7.59076
541 1ITZ TPP 0.008107 0.40263 7.59076
542 3PVT 3HC 0.002208 0.44314 7.72201
543 5RHN 8BR 0.0001385 0.45928 7.82609
544 3KMZ EQO 0.001168 0.43958 7.89474
545 3FC2 IBI 0.002109 0.43521 7.92079
546 2V7T SAH 0.009324 0.44698 8.02676
547 2P1O IHP 0.009454 0.40843 8.125
548 2P1O NLA 0.009454 0.40843 8.125
549 2P1M IHP 0.008978 0.4039 8.125
550 3D3W NAP 0.004006 0.42508 8.19672
551 1PR9 NAP 0.01172 0.40816 8.19672
552 3MB5 SAM 0.0104 0.42541 8.23529
553 3MPI GRA 0.0187 0.41637 8.25082
554 1LDM NAD 0.02522 0.41637 8.25082
555 3MPI FAD 0.01079 0.41189 8.25082
556 2FPU HSO 0.0001558 0.41128 8.52273
557 1OMZ UD2 0.02646 0.40282 8.53242
558 4DQ2 BTX 0.001067 0.44588 8.58086
559 3RO7 TDR 0.01196 0.40164 8.58086
560 1ZFJ IMP 0.02862 0.40133 8.58086
561 2PYU IMP 0.0006275 0.40751 8.6758
562 4NAT ADP 0.01554 0.43368 8.75
563 1HFS L04 0.01726 0.4 8.75
564 4D7M TDC 0.001224 0.44038 8.75576
565 3BW2 FMN 0.005976 0.41663 8.91089
566 1LTH NAD 0.0439 0.40299 8.91089
567 1IR1 CAP 0.00284 0.41538 8.94309
568 3DDC GNP 0.0006088 0.45096 9.03614
569 1KGQ SCO 0.03838 0.41339 9.12409
570 3BY8 MLT 0.008161 0.41078 9.15493
571 2GJ3 FAD 0.008911 0.41012 9.16667
572 2HVW DDN 0.00159 0.41643 9.23913
573 4A8H PUW 0.007284 0.41373 9.24092
574 4AQL TXC 0.003766 0.40662 9.24092
575 4A8T PAO 0.04641 0.40308 9.24092
576 2WCV FUC 0.001795 0.4093 9.28571
577 2X61 NGA GAL SIA 0.01364 0.42458 9.30233
578 4COQ SAN 0.0008366 0.44711 9.31174
579 1Y75 NAG 0.001006 0.41243 9.32203
580 3TA2 AKG 0.01408 0.40004 9.32203
581 2HV8 GTP 0.004859 0.41311 9.375
582 1YOA FMN 0.008567 0.441 9.43396
583 1EYQ NAR 0.001778 0.40388 9.45946
584 3WE0 FAD 0.005928 0.43096 9.57096
585 2FR6 URI 0.0004177 0.44569 9.58904
586 2FR6 CTN 0.0008326 0.43408 9.58904
587 1OIK C26 0.0007033 0.43233 9.63455
588 2V5E SCR 0.003085 0.4543 9.90099
589 1QS0 TDP 0.003904 0.40997 9.90099
590 4G4S LDZ 0.003968 0.40574 9.91379
591 2ET1 GLV 0.02272 0.40122 9.95025
592 3CIP ATP 0.01201 0.41681 10.1562
593 1NVV GNP 0.004421 0.41631 10.241
594 2FH5 GTP 0.02791 0.40181 10.2804
595 1H9G COA MYR 0.005832 0.41293 10.2881
596 1T0I FMN 0.001302 0.42654 10.4712
597 3KJQ B94 0.003055 0.40326 10.5263
598 2NXW TPP 0.00158 0.44309 10.5611
599 2GGH NLQ 0.0103 0.41275 10.5611
600 1RBO CAP 0.02254 0.43955 10.5691
601 1PJ6 FOL 0.01864 0.40944 10.8911
602 1LC8 33P 0.009625 0.40411 10.8911
603 3NCQ ATP 0.003232 0.41505 10.9244
604 2E2R 2OH 0.002103 0.44049 11.0656
605 4JWX 1N4 0.001418 0.40134 11.0714
606 1B8U OAA 0.008591 0.41262 11.5512
607 1YOE RIB 0.002161 0.40159 11.5512
608 4CS4 ANP 0.01172 0.41248 11.6788
609 4CS4 AXZ 0.02275 0.40567 11.6788
610 1OD6 PNS 0.03048 0.40551 11.875
611 4UBP HAE 0.003879 0.41102 11.9048
612 1ECM TSA 0.001802 0.40415 11.9266
613 1NME 159 0.001199 0.42107 11.9565
614 2E1A MSE 0.001949 0.41323 12
615 4E13 NAD 0.001234 0.4315 12.0141
616 3RF4 FUN 0.0009989 0.4304 12.069
617 4USQ FAD 0.004759 0.42568 12.2112
618 1L2T ATP 0.002019 0.42669 12.3404
619 3IBH GSH 0.002583 0.41698 12.4464
620 2QS8 MET 0.008265 0.40679 12.5413
621 2YJ0 420 0.03341 0.40646 13.0435
622 4AT0 FAD 0.001373 0.46217 13.2013
623 2F01 BTQ 0.01871 0.42288 13.3858
624 2F01 BTN 0.01871 0.42288 13.3858
625 4BMO FMN 0.002028 0.42994 13.4454
626 1QY1 PRZ 0.001958 0.42361 13.7931
627 1OFH ADP 0.00605 0.41082 13.7931
628 1KOL NAD 0.002547 0.43939 13.8614
629 1LVL FAD 0.00466 0.43546 14.1914
630 1LVL NAD 0.005481 0.40602 14.1914
631 4BX7 B4F 0.004607 0.41708 14.2857
632 4BCS BTN 0.004586 0.40121 14.4
633 2PVQ GSH 0.004963 0.40199 14.9254
634 1U7Z PMT 0.0009436 0.4537 15.0442
635 2P41 SAH 0.005114 0.40348 15.4098
636 4OJ8 AKG 0.001062 0.43206 15.6997
637 4OJ8 2TQ 0.007741 0.40181 15.6997
638 3S9K CIT 0.003807 0.47482 16.9492
639 1KDK DHT 0.003219 0.41691 16.9492
640 3ZZL TRP 0.0202 0.40435 17.1429
641 3TCT 3MI 0.01735 0.4171 17.3228
642 3ZZS TRP 0.004706 0.42704 18.4615
643 1O0D 163 0.001903 0.41803 22.2222
644 2FEQ 34P 0.002605 0.41278 22.2222
645 1Y52 BTN 0.02428 0.40273 22.2222
646 2QQ0 THM 0.0008092 0.45078 27.1739
647 2QQ0 ANP 0.0009535 0.45078 27.1739
648 2QQ0 TMP 0.00152 0.44243 27.1739
649 2QQ0 ADP 0.00152 0.44243 27.1739
650 4GQB 0XU 0.02531 0.40982 27.2727
651 1O9U ADZ 0.007376 0.42683 27.7778
652 4HGD KGT 0.0002642 0.45753 42.5743
Pocket No.: 2; Query (leader) PDB : 1UF5; Ligand: CDT; 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: 1uf5.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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