Receptor
PDB id Resolution Class Description Source Keywords
3TFC 1.95 Å NON-ENZYME: OTHER 1.95 ANGSTROM CRYSTAL STRUCTURE OF A BIFUNCTIONAL 3-DEOXY-7- PHOSPHOHEPTULONATE SYNTHASE/CHORISMATE MUTASE (AROA) FROM LM ONOCYTOGENES EGD-E IN COMPLEX WITH PHOSPHOENOLPYRUVATE LISTERIA MONOCYTOGENES STRUCTURAL GENOMICS CENTER FOR STRUCTURAL GENOMICS OF INFECDISEASES CSGID (BETA/ALPHA) BARREL TIM BARREL TRANSFERAISOMERASE COMPLEX
Ref.: STRUCTURAL ANALYSIS OF A 3-DEOXY-D-ARABINO-HEPTULOS 7-PHOSPHATE SYNTHASE WITH AN N-TERMINAL CHORISMATE MUTASE-LIKE REGULATORY DOMAIN. PROTEIN SCI. V. 21 887 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:363;
B:363;
Invalid;
Invalid;
none;
none;
submit data
35.453 Cl [Cl-]
MN A:362;
B:362;
Part of Protein;
Part of Protein;
none;
none;
submit data
54.938 Mn [Mn+2...
PEP A:1268;
B:1269;
Valid;
Valid;
none;
none;
submit data
168.042 C3 H5 O6 P C=C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3TFC 1.95 Å NON-ENZYME: OTHER 1.95 ANGSTROM CRYSTAL STRUCTURE OF A BIFUNCTIONAL 3-DEOXY-7- PHOSPHOHEPTULONATE SYNTHASE/CHORISMATE MUTASE (AROA) FROM LM ONOCYTOGENES EGD-E IN COMPLEX WITH PHOSPHOENOLPYRUVATE LISTERIA MONOCYTOGENES STRUCTURAL GENOMICS CENTER FOR STRUCTURAL GENOMICS OF INFECDISEASES CSGID (BETA/ALPHA) BARREL TIM BARREL TRANSFERAISOMERASE COMPLEX
Ref.: STRUCTURAL ANALYSIS OF A 3-DEOXY-D-ARABINO-HEPTULOS 7-PHOSPHATE SYNTHASE WITH AN N-TERMINAL CHORISMATE MUTASE-LIKE REGULATORY DOMAIN. PROTEIN SCI. V. 21 887 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 3TFC - PEP C3 H5 O6 P C=C(C(=O)O....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 3TFC - PEP C3 H5 O6 P C=C(C(=O)O....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 3TFC - PEP C3 H5 O6 P C=C(C(=O)O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PEP; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 PEP 1 1
2 UVW 0.44 0.709677
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3TFC; Ligand: PEP; Similar sites found: 731
This union binding pocket(no: 1) in the query (biounit: 3tfc.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3ZZS TRP 0.001733 0.45622 None
2 3BY8 MLT 0.002555 0.42756 None
3 1Y52 BTN 0.01158 0.42546 None
4 4BCS BTN 0.002857 0.41951 None
5 2BOI MFU 0.002057 0.41215 None
6 1BGQ RDC 0.006155 0.42156 0.888889
7 3RFV NAI 0.007115 0.42026 1.1236
8 3RFV 15L 0.007568 0.41769 1.1236
9 3IL6 B83 0.001909 0.43301 1.24611
10 2AQJ FAD 0.003739 0.46124 1.2987
11 4AT0 FAD 0.00375 0.4533 1.2987
12 2AQJ TRP 0.009514 0.44136 1.2987
13 4HA6 FAD 0.006909 0.43754 1.2987
14 1LCP PLU 0.009316 0.41236 1.2987
15 4G87 UD1 0.03633 0.40636 1.2987
16 3ATY FMN 0.01359 0.42231 1.31926
17 1V9N NDP 0.004285 0.43513 1.38889
18 1G0N NDP 0.0004185 0.48744 1.41343
19 1G0N PHH 0.0005721 0.48478 1.41343
20 4NTD FAD 0.02872 0.40469 1.47059
21 3QP6 HL6 0.003623 0.41304 1.50943
22 1GS5 NLG 0.005711 0.43085 1.55039
23 1GS5 ANP 0.005711 0.43085 1.55039
24 4IOK XPO 0.0008236 0.45402 1.55844
25 4IOK ADP 0.001191 0.45228 1.55844
26 1TOI HCI 0.001891 0.44664 1.55844
27 1D6H COA 0.004485 0.44612 1.55844
28 2NZ2 CIR 0.01019 0.4121 1.55844
29 4RNX FMN 0.006989 0.40859 1.55844
30 4C0C WVH 0.03106 0.40835 1.55844
31 5RHN 8BR 0.005505 0.40787 1.55844
32 4L7I SAM 0.0001863 0.40116 1.55844
33 1A59 COA 0.009255 0.40259 1.5873
34 4NM5 ADP 0.01265 0.4021 1.59151
35 3O55 FAD 0.00146 0.44687 1.6
36 2EWM NAD 0.003261 0.43906 1.60643
37 4DXJ 0M9 0.0006781 0.4371 1.65746
38 1YHM AHD 0.0003012 0.43626 1.65746
39 4DXJ IPE 0.004324 0.40239 1.65746
40 2WGC SIA GAL BGC 0.02313 0.41294 1.75439
41 4LXH C1E 0.002411 0.42471 1.80505
42 3LZW FAD 0.003743 0.44468 1.80723
43 3LZW NAP 0.03033 0.41743 1.80723
44 1CSI CMX 0.003223 0.44867 1.81818
45 1CSI OAA 0.003223 0.44867 1.81818
46 1JIL 485 0.001062 0.44362 1.81818
47 4C6F DOR 0.0004885 0.44276 1.81818
48 4C6F NCD 0.0004885 0.44276 1.81818
49 3ZTV ADN 0.001362 0.43025 1.81818
50 2J07 HDF 0.01503 0.42617 1.81818
51 2J07 FAD 0.01503 0.42617 1.81818
52 4LCQ URQ 0.01117 0.41308 1.81818
53 1DJ9 KAM 0.01058 0.40851 1.82292
54 1SOW NAD 0.007052 0.4256 1.82927
55 3K3K A8S 0.003643 0.42132 1.89573
56 2B82 ADN 0.007797 0.4093 1.89573
57 1EB9 HBA 0.00008065 0.43503 1.9084
58 2F59 INI 0.0007611 0.44751 1.91083
59 1LC8 33P 0.00145 0.44861 1.92308
60 4A3U FMN 0.01684 0.41279 1.95531
61 2HGZ PBF 0.002942 0.43224 1.96078
62 1UJ2 C5P 0.001383 0.44788 1.98413
63 1UJ2 ADP 0.008288 0.41455 1.98413
64 2H6B 3C4 0.02814 0.41701 2
65 4M37 SAH 0.004169 0.41888 2.04082
66 2BNF UTP 0.002703 0.45104 2.07469
67 2BNE U5P 0.01246 0.4164 2.07469
68 4QN7 G39 0.003199 0.44438 2.07792
69 4M2K PLP 0.0004191 0.44237 2.07792
70 3MTW M3R 0.001002 0.43808 2.07792
71 3NYQ AMP 0.008079 0.42418 2.07792
72 3I28 34N 0.01675 0.4224 2.07792
73 2XCG XCG 0.007377 0.42224 2.07792
74 1KOL NAD 0.01172 0.4203 2.07792
75 3NYQ MCA 0.009582 0.41973 2.07792
76 4G1V FAD 0.007464 0.41935 2.07792
77 4EPM AMP 0.005869 0.41786 2.07792
78 1RY2 AMP 0.01376 0.40507 2.07792
79 1KC7 PPR 0.0007409 0.40368 2.07792
80 1BUC CAA 0.001699 0.44241 2.08877
81 1BUC FAD 0.02801 0.40226 2.08877
82 1G6O ADP 0.00231 0.43834 2.12121
83 3W54 RNB 0.004495 0.40924 2.12766
84 2HVW DCP 0.00005992 0.48514 2.17391
85 2HVW DDN 0.000187 0.46514 2.17391
86 1T26 GBD 0.007892 0.46156 2.17391
87 1T26 NAI 0.007892 0.46156 2.17391
88 1FDJ 2FP 0.003111 0.41331 2.20386
89 1FS5 TLA 0.01141 0.41069 2.25564
90 3P0K FAD 0.01115 0.40443 2.25564
91 3RO7 TDR 0.004301 0.42972 2.26415
92 3S7O LBV 0.003607 0.43714 2.33236
93 2TOH HBI 0.009626 0.41027 2.33236
94 3V1U NAD 0.0002728 0.47806 2.33766
95 3Q9T FAY 0.001005 0.47035 2.33766
96 3F3E LEU 0.001316 0.46394 2.33766
97 3WE0 FAD 0.001897 0.46319 2.33766
98 2RGH FAD 0.002614 0.45382 2.33766
99 1VJT NAD 0.0006932 0.45133 2.33766
100 1Z45 UPG 0.0008599 0.44532 2.33766
101 2NP9 YE1 0.003552 0.43872 2.33766
102 4QDC ASD 0.003763 0.43151 2.33766
103 1Z45 NAD 0.004635 0.43106 2.33766
104 3LPF Z77 0.00483 0.4261 2.33766
105 1YBH P22 0.008231 0.42142 2.33766
106 1YBH FAD 0.0466 0.42044 2.33766
107 2QJN KDG 0.002736 0.41798 2.33766
108 4K5S PM0 0.02254 0.41796 2.33766
109 2XDQ MGX 0.008825 0.41777 2.33766
110 4AAW R84 0.02614 0.41419 2.33766
111 2YFT DQR 0.004322 0.41217 2.33766
112 1UOU CMU 0.004023 0.41119 2.33766
113 1I1Q TRP 0.002806 0.40981 2.33766
114 3V1V GST 0.006515 0.40695 2.33766
115 1Z45 GAL 0.003639 0.40247 2.33766
116 1QS0 TDP 0.007083 0.40927 2.36686
117 3U5S FAD 0.004936 0.41764 2.38095
118 3C2O NTM 0.02923 0.40754 2.38095
119 3PJU C2E 0.007581 0.41766 2.40964
120 4MZ7 DGT 0.01054 0.41545 2.41187
121 3B1F NAD 0.004045 0.42303 2.41379
122 2VHJ ADP 0.003635 0.42135 2.41692
123 1CKN GTP 0.0006364 0.43522 2.42424
124 1VR0 3SL 0.0005205 0.43866 2.42915
125 1F5F DHT 0.0007972 0.44446 2.43902
126 3O7B SAH 0.004215 0.41675 2.45902
127 3D3H M4O 0.007764 0.40177 2.5
128 2G86 UMP 0.01908 0.42134 2.53165
129 4IZC 1GZ 0.004475 0.45102 2.54545
130 3N5O GSH 0.0005004 0.45504 2.55319
131 1SB8 NAD 0.003184 0.45657 2.55682
132 1SB8 UD2 0.01003 0.43667 2.55682
133 1DRV A3D 0.03929 0.4059 2.5641
134 2C4I BTN 0.0006864 0.44477 2.58303
135 1RKD ADP 0.003353 0.43982 2.589
136 1RKD RIB 0.003353 0.43982 2.589
137 2PTR 2SA 0.0008592 0.45838 2.5974
138 2YYJ 4HP 0.009512 0.45267 2.5974
139 2YYJ FAD 0.009512 0.45267 2.5974
140 2ZWS PLM 0.005119 0.44748 2.5974
141 2IXB A2G 0.003737 0.44471 2.5974
142 2QA1 FAD 0.004429 0.43809 2.5974
143 1V5F FAD 0.04356 0.43746 2.5974
144 1V5F TPP 0.04356 0.43746 2.5974
145 2DKH 3HB 0.006471 0.435 2.5974
146 4HZX G39 0.008311 0.43008 2.5974
147 2IXB NAD 0.005662 0.42855 2.5974
148 1H82 FAD 0.01762 0.428 2.5974
149 1H82 GZZ 0.01938 0.428 2.5974
150 1UMP SQA 0.004272 0.4269 2.5974
151 3T1A 5MA 0.002613 0.42535 2.5974
152 1X54 4AD 0.01047 0.40872 2.5974
153 4IVG ANP 0.03679 0.40871 2.5974
154 2YIV NBN 0.0008716 0.40519 2.5974
155 2DKH FAD 0.02238 0.40453 2.5974
156 1UF5 CDT 0.001435 0.40204 2.64026
157 1WNG SAH 0.006584 0.4106 2.64151
158 1Z48 FMN 0.01044 0.41604 2.66272
159 2GGH NLQ 0.01767 0.41126 2.66667
160 1XX4 BAM 0.01903 0.4018 2.68199
161 1LDM NAD 0.01201 0.43983 2.73556
162 1KYZ SAH 0.001057 0.44161 2.73973
163 3L0E G58 0.00048 0.46926 2.7668
164 2PNZ UDP 0.002048 0.44058 2.81124
165 4TMK T5A 0.01603 0.40985 2.8169
166 1NW5 SAM 0.004263 0.41847 2.82132
167 1KDK DHT 0.003444 0.42598 2.82486
168 3GEG NAD 0.004025 0.43097 2.83401
169 2WK1 SAH 0.006197 0.41349 2.83688
170 1KBJ FMN 0.000552 0.46496 2.85714
171 2Q8H TF4 0.001111 0.46064 2.85714
172 3UH0 TSB 0.0007124 0.45669 2.85714
173 4J7H TLO 0.001388 0.44074 2.85714
174 1KBI PYR 0.002415 0.43907 2.85714
175 1KBI FMN 0.002415 0.43907 2.85714
176 1QPB TPP 0.00273 0.43678 2.85714
177 1QPB PYM 0.00273 0.43678 2.85714
178 2DDH HXD 0.002174 0.43257 2.85714
179 3WD1 ST7 0.01621 0.42056 2.85714
180 4KCT PYR 0.001077 0.41336 2.85714
181 1H0C AOA 0.005402 0.41333 2.85714
182 1ZGA SAH 0.005104 0.407 2.85714
183 1ZGA HMK 0.004607 0.40646 2.85714
184 2DDH FAD 0.02734 0.40064 2.85714
185 1HDR NAD 0.001318 0.47516 2.86885
186 4FDV 0UK 0.003897 0.43695 2.87081
187 1BDB NAD 0.02766 0.42581 2.88809
188 1UAY ADN 0.002471 0.41978 2.89256
189 3MAG 3MA 0.004413 0.44091 2.9316
190 3WBF API 0.0147 0.41265 2.95082
191 3WBF NAP 0.01895 0.40304 2.95082
192 2GQR ADP 0.01261 0.41189 2.95359
193 3HY3 10F 0.00283 0.43131 2.95567
194 1POC GEL 0.008449 0.4023 2.98507
195 2F5T MAL 0.002997 0.42289 3.00429
196 3FSY SCA 0.003914 0.44218 3.01205
197 3MCT SAH 0.00009086 0.49031 3.0303
198 3MCT 3MC 0.0008748 0.42664 3.0303
199 3L8W XAN 0.02884 0.41783 3.04054
200 4AF0 IMP 0.02631 0.41406 3.05755
201 4AF0 MOA 0.01499 0.40203 3.05755
202 1R18 SAH 0.01242 0.40244 3.0837
203 3O03 NAP 0.007135 0.4188 3.09278
204 2XK9 XK9 0.001681 0.45558 3.10559
205 2ZB3 NDP 0.0007651 0.4637 3.11615
206 1Q0H FOM 0.001899 0.46509 3.11688
207 2GSD NAD 0.003842 0.44084 3.11688
208 3P0F BAU 0.001021 0.43774 3.11688
209 1Q0H NDP 0.008185 0.43762 3.11688
210 3UR0 SVR 0.007548 0.43668 3.11688
211 1KTC NGA 0.00102 0.42405 3.11688
212 1N6B DMZ 0.0106 0.42331 3.11688
213 4AMV F6R 0.003134 0.41786 3.11688
214 4COQ SAN 0.003959 0.41267 3.11688
215 3WKX FUB 0.001039 0.40877 3.11688
216 1Q7E MET 0.01257 0.40817 3.11688
217 3PC3 P1T 0.008911 0.40686 3.11688
218 3UMV FAD 0.03961 0.40051 3.11688
219 1L3I SAH 0.0006428 0.4638 3.125
220 4K30 NLG 0.001045 0.42363 3.125
221 1Y9Q MED 0.004424 0.41064 3.125
222 3LST SAH 0.001475 0.42885 3.16092
223 4IAE 1DX 0.01118 0.43484 3.1746
224 2Q1S NAI 0.003355 0.45188 3.18302
225 1Q11 TYE 0.003564 0.40283 3.22581
226 1V1A ADP 0.001483 0.45122 3.23625
227 1V1A KDG 0.008766 0.40629 3.23625
228 1UZN NAP 0.001067 0.43696 3.23887
229 3CL7 HYN 0.002347 0.43643 3.24675
230 1MOQ GLP 0.001101 0.44087 3.26087
231 1C3V NDP 0.0007685 0.46656 3.26531
232 1SS4 CIT 0.0001665 0.57131 3.26797
233 1SS4 GSH 0.002624 0.46798 3.26797
234 1WXI AMP 0.006037 0.43636 3.27273
235 1N1G BCP 0.005304 0.4346 3.27869
236 3T2W BTN 0.001133 0.42823 3.27869
237 9LDB NAD 0.006928 0.42471 3.31325
238 9LDT NAD 0.01433 0.41082 3.31325
239 9LDB OXM 0.01497 0.40331 3.31325
240 4IS0 GDS 0.00877 0.40163 3.3195
241 1OIK C26 0.001016 0.43783 3.32226
242 1ULE GLA GAL NAG 0.007852 0.41286 3.33333
243 2J0W ADP 0.001066 0.43928 3.34076
244 2DTJ THR 0.0004704 0.44341 3.37079
245 1SSQ CYS 0.01464 0.4247 3.37079
246 2GDZ NAD 0.007042 0.42312 3.37079
247 1SNY NAP 0.006308 0.42111 3.37079
248 1E2S CSN 0.0007219 0.44141 3.37662
249 1ME8 RVP 0.01847 0.43753 3.37662
250 3MPI GRA 0.01138 0.43484 3.37662
251 3WO0 ADP 0.00701 0.4303 3.37662
252 3WO0 ALA 0.00701 0.4303 3.37662
253 3ZPG 5GP 0.005444 0.42779 3.37662
254 1H9A NAP 0.01423 0.41439 3.37662
255 3QV9 QV7 0.002968 0.4117 3.37662
256 3OIG NAD 0.004424 0.45779 3.38346
257 3OIG IMJ 0.01054 0.41907 3.38346
258 1FP2 HMO 0.001477 0.4312 3.40909
259 1FP2 SAH 0.002235 0.42153 3.40909
260 1M5B BN1 0.01127 0.43719 3.42205
261 1OTH PAO 0.009772 0.41935 3.42679
262 1UKW FAD 0.01699 0.41407 3.43008
263 3TKA SAM 0.01037 0.4041 3.45821
264 3BL6 FMC 0.005335 0.41251 3.47826
265 2JAR UMP 0.0087 0.4037 3.5
266 1B55 4IP 0.0006414 0.44348 3.5503
267 1J5P NAD 0.002739 0.43821 3.55731
268 1IYE PGU 0.005012 0.43088 3.55987
269 1R6D NAD 0.002448 0.46608 3.56083
270 1R6D DAU 0.004526 0.45282 3.56083
271 1ML4 PAL 0.01008 0.40866 3.57143
272 4LWA Q13 0.0159 0.41731 3.58127
273 3ZY6 GFB 0.0125 0.40068 3.59116
274 4MOB COA 0.01968 0.41216 3.61446
275 1H2B NAJ 0.002426 0.44728 3.62117
276 1QF5 GDP 0.00131 0.47438 3.63636
277 1QF5 RPL 0.00131 0.47438 3.63636
278 3IB8 AMP 0.002184 0.42195 3.63636
279 4C0X AQN 0.00809 0.42175 3.63636
280 3B96 MYA 0.004455 0.41767 3.63636
281 2YB9 HA0 0.01126 0.4142 3.63636
282 4C0X FMN 0.01351 0.40681 3.63636
283 4CS4 ANP 0.002103 0.45482 3.64964
284 4CS4 AXZ 0.006649 0.4383 3.64964
285 4DQ2 BTX 0.0001775 0.49123 3.65854
286 2YPO PHE 0.0004985 0.4733 3.67965
287 2Y0I AKG 0.0008839 0.42004 3.69318
288 4B7E OGA 0.0004453 0.43109 3.72493
289 3P3N AKG 0.003166 0.41676 3.72493
290 1KYV RBF 0.0003358 0.45988 3.77358
291 1TB4 PEJ 0.004419 0.43197 3.77358
292 4G10 GSH 0.00853 0.40009 3.77358
293 2P8B NSK 0.01441 0.45277 3.79404
294 3QP4 HL0 0.005918 0.40659 3.84615
295 3MMR ABH 0.04794 0.40598 3.87409
296 2CKM AA7 0.0006596 0.48198 3.8961
297 3FC4 EDO 0.002941 0.46236 3.8961
298 1VJO PLP 0.0004944 0.45059 3.8961
299 2FFC U5P 0.0007332 0.44818 3.8961
300 2QS8 MET 0.002443 0.4418 3.8961
301 2R42 FPS 0.001363 0.43911 3.8961
302 4OJ8 2TQ 0.002632 0.4309 3.8961
303 2NXW TPP 0.006382 0.42751 3.8961
304 4KCF FMN 0.003079 0.41818 3.8961
305 8CAT NDP 0.008309 0.40814 3.8961
306 2GWD GLU 0.00394 0.40399 3.8961
307 4KCF AKM 0.01281 0.40344 3.8961
308 2EFJ SAH 0.001788 0.43004 3.90625
309 3VPD ANP 0.0004394 0.46166 3.91459
310 1D09 PAL 0.01612 0.45032 3.92157
311 3SIX GDP 0.006623 0.40011 3.93939
312 2BGM NAJ 0.01901 0.42643 3.95683
313 2YK7 CSF 0.001956 0.43257 3.98773
314 1OLS TDP 0.003838 0.45014 4
315 3ZS7 ATP 0.006743 0.41366 4
316 3OZG SSI 0.004551 0.41125 4
317 4TSK NDP 0.04723 0.40757 4
318 2Z9C DTC 0.01711 0.40099 4
319 1X8X TYR 0.001257 0.42643 4.03727
320 3SCH TB6 0.001553 0.40134 4.0404
321 1ZZ7 S0H 0.003928 0.40118 4.0404
322 1LTH NAD 0.01334 0.43087 4.07523
323 1LTH FBP 0.0009069 0.40714 4.07523
324 1JUV NDP 0.003968 0.42978 4.14508
325 2A0W DIH 0.01021 0.42024 4.15225
326 1HYE NAP 0.01065 0.40685 4.15335
327 2YVF FAD 0.00703 0.44895 4.15584
328 2YVF NAD 0.007263 0.44895 4.15584
329 2PUL ACP 0.0008852 0.44027 4.15584
330 4BG1 OGA 0.00325 0.42525 4.15584
331 4BG1 IVL 0.00325 0.42525 4.15584
332 1C7S CBS 0.002042 0.42066 4.15584
333 4C12 UML 0.01175 0.41339 4.15584
334 4I8P NAD 0.04708 0.40333 4.15584
335 1KHT AMP 0.002461 0.41206 4.16667
336 2AG8 NAP 0.01262 0.40051 4.18251
337 1RYI FAD 0.00807 0.4326 4.18848
338 1RYI GOA 0.03031 0.40802 4.18848
339 1P72 ADP 0.001994 0.44843 4.19162
340 1P72 THM 0.0003764 0.44094 4.19162
341 1DR1 NAP 0.002492 0.45152 4.2328
342 1DR1 HBI 0.002492 0.45152 4.2328
343 3S9K CIT 0.0001675 0.54226 4.23729
344 1YS4 NAP 0.001494 0.44127 4.23729
345 1JCM 137 0.001008 0.45849 4.2471
346 1QS8 IVA VAL VAL STA ALA STA 0.01183 0.40334 4.25532
347 2F7C CCU 0.0002883 0.43661 4.29185
348 1NF8 ISC 0.0006675 0.44016 4.34783
349 4CMF PXG 0.01152 0.43233 4.34783
350 4NAT ADP 0.006443 0.46095 4.375
351 4NAT 2W5 0.006143 0.43395 4.375
352 1M7Y PPG 0.002196 0.44523 4.41558
353 3CKZ ZMR 0.005244 0.44112 4.41558
354 1Y42 TYR 0.003969 0.401 4.41558
355 3ZRR PXG 0.002313 0.42954 4.42708
356 4USQ FAD 0.00416 0.43814 4.43213
357 1WVG CXY 0.003206 0.42729 4.45682
358 1WVG APR 0.007944 0.41534 4.45682
359 4N02 FNR 0.011 0.4348 4.48179
360 1A27 NAP 0.003843 0.43462 4.49827
361 1A27 EST 0.004678 0.41076 4.49827
362 3KMZ EQO 0.002679 0.43558 4.51128
363 3NBK PNS 0.02568 0.40076 4.51977
364 3S2Y FMN 0.004603 0.41517 4.52261
365 4DVE BTN 0.0001722 0.46078 4.54545
366 1GVF PGH 0.002008 0.41256 4.54545
367 3CXO 1N5 0.002142 0.44707 4.57831
368 3CXO 3LR 0.01807 0.40394 4.57831
369 2RHW C0E 0.005776 0.45368 4.59364
370 4JP3 CIT 0.0004526 0.44693 4.60251
371 4AQL TXC 0.003104 0.4202 4.62185
372 3IIS PID 0.01322 0.44082 4.63576
373 1NHZ 486 0.006023 0.41573 4.64286
374 1D3V ABH 0.003411 0.43109 4.64396
375 5YAS FAC 0.005396 0.40123 4.66926
376 1E7S NAP 0.009747 0.4194 4.6729
377 3A2Q ACA ACA 0.0001689 0.47214 4.67532
378 1JQI FAD 0.002055 0.45412 4.67532
379 4UAL 3FV 0.0007073 0.44659 4.67532
380 1VBH PEP 0.000703 0.42246 4.67532
381 3IOI 1GW 0.01081 0.41742 4.67532
382 1JQI CAA 0.007703 0.41441 4.67532
383 1FA2 DOM 0.0136 0.40934 4.67532
384 2BJK NAD 0.04506 0.4054 4.67532
385 2V7T SAH 0.003255 0.47863 4.68227
386 2HV8 GTP 0.0009824 0.45254 4.6875
387 1PFK FBP 0.003624 0.40812 4.6875
388 1PFK ADP 0.005965 0.40645 4.6875
389 4FR3 0V4 0.01096 0.44475 4.70085
390 4FR3 LYS ARG ARG LYS SEP VAL 0.029 0.42426 4.70085
391 2F01 BTQ 0.0003161 0.51586 4.72441
392 2F01 BTN 0.004227 0.46214 4.72441
393 1KGQ SCO 0.03019 0.42603 4.74453
394 1KGQ NPI 0.02912 0.42603 4.74453
395 1TDF FAD 0.002046 0.46453 4.74684
396 1TDF NAP 0.007815 0.45242 4.74684
397 1GSA GSH 0.01274 0.42356 4.74684
398 1GSA ADP 0.02332 0.41651 4.74684
399 3SJ7 NDP 0.0002141 0.4877 4.7619
400 1C3M MAN MAN 0.006519 0.40269 4.7619
401 4NE2 SH2 0.02966 0.40114 4.79042
402 4NE2 ADP 0.02797 0.4002 4.79042
403 1TRD PGH 0.005091 0.40471 4.8
404 1LL2 UPG 0.00219 0.43243 4.8048
405 2QDT I38 0.0001524 0.47142 4.83271
406 1L1Q 9DA 0.001369 0.43902 4.83871
407 1FL2 FAD 0.008786 0.42997 4.83871
408 1GV0 NAD 0.005698 0.42714 4.83871
409 2ZJ5 ADP 0.001021 0.4189 4.86111
410 4W6Z 8ID 0.005395 0.43539 4.89914
411 4W6Z ETF 0.0006501 0.40521 4.89914
412 1GR0 NAD 0.02136 0.43235 4.90463
413 2DTX BMA 0.0007289 0.47778 4.92424
414 1XOC VAL ASP SER LYS ASN THR SER SER TRP 0.002661 0.45347 4.93506
415 3DDN HPV 0.001634 0.40973 4.93506
416 4HZD COA 0.004329 0.43853 4.96454
417 4HVK PMP 0.004567 0.40146 4.97382
418 1LSS NAD 0.008771 0.40715 5
419 1X92 M7P 0.003837 0.40965 5.02513
420 4LSJ LSJ 0.01222 0.40109 5.03876
421 1S8F GDP 0.004052 0.42939 5.08475
422 4LNL 2BK 0.0004689 0.45152 5.1051
423 4LNL 2BO 0.0004689 0.45152 5.1051
424 4LNL PLG 0.001124 0.43363 5.1051
425 1FP1 SAH 0.002249 0.42375 5.10753
426 1FP1 HCC 0.005905 0.41068 5.10753
427 3KJI ADP 0.004768 0.41043 5.11811
428 3ZEI AWH 0.005838 0.42535 5.16129
429 1R37 NAD 0.008979 0.42329 5.18732
430 1R37 ETX 0.001047 0.4085 5.18732
431 3GE7 AFQ 0.0009413 0.46544 5.19481
432 3T31 DCQ 0.01083 0.43801 5.19481
433 3T31 FAD 0.0101 0.43801 5.19481
434 1NZY BCA 0.003918 0.43148 5.19481
435 3M0J OAF 0.02301 0.40174 5.21173
436 4NAO AKG 0.0002336 0.42328 5.21472
437 2JL1 NAP 0.004576 0.42077 5.22648
438 2YHW BM3 0.004495 0.43164 5.24781
439 3ZLM ANP 0.004691 0.41483 5.31915
440 2NVK NAP 0.004161 0.4002 5.32787
441 4NES UDP 0.001301 0.43573 5.34759
442 4NES UD1 0.005766 0.41111 5.34759
443 2HW1 FRU 0.0002007 0.44199 5.36913
444 2HW1 ANP 0.009364 0.40596 5.36913
445 2BKA NDP 0.01344 0.40957 5.3719
446 2UZ2 BTN 0.005233 0.40877 5.38462
447 2HNK SAH 0.002644 0.42712 5.43933
448 3HF3 FMN 0.003647 0.42493 5.44413
449 4A3R CIT 0.001758 0.45595 5.45455
450 4ARF IP8 GLY PRO ALA 0.0005668 0.44817 5.45455
451 2CE7 ADP 0.001383 0.42997 5.45455
452 2VJJ RAM GLC GAL NAG NAG GLC 0.01475 0.42694 5.45455
453 4CKU P2F 0.001995 0.46594 5.47112
454 1V35 NAI 0.03338 0.4044 5.47112
455 2OI2 DP6 0.00246 0.41741 5.47945
456 3V91 UPG 0.0323 0.40989 5.49828
457 2V5E SCR 0.003242 0.4476 5.5
458 1L2T ATP 0.005998 0.41746 5.53191
459 2C1Q BTN 0.02398 0.40919 5.55556
460 2R14 TXD 0.008726 0.4203 5.57029
461 1LYX PGA 0.002399 0.4203 5.64516
462 1BTN I3P 0.0000473 0.56501 5.66038
463 1LVL FAD 0.002977 0.45425 5.71429
464 4O8A FAD 0.001692 0.45155 5.71429
465 3K5X P8D 0.0004198 0.44538 5.71429
466 1TIW FAD 0.00443 0.44139 5.71429
467 1TIW TFB 0.00443 0.44139 5.71429
468 1Q3Q ANP 0.01394 0.43282 5.71429
469 2WCV FUC 0.001163 0.4249 5.71429
470 1P9B IMO 0.004721 0.42349 5.71429
471 3FC2 IBI 0.009622 0.41719 5.71429
472 4OE4 NAD 0.01416 0.41045 5.71429
473 1P9B HDA 0.001575 0.41018 5.71429
474 1P9B GDP 0.007395 0.40468 5.71429
475 1PS9 FMN 0.02888 0.40219 5.71429
476 4Q3R XA2 0.01737 0.40071 5.71429
477 1IM8 SAI 0.01026 0.40429 5.7377
478 1EP2 ORO 0.000708 0.47222 5.74713
479 1EP2 FMN 0.0004995 0.47015 5.74713
480 1QY1 PRZ 0.0003627 0.46515 5.74713
481 3TO7 COA 0.01959 0.41225 5.7971
482 2PWY SAH 0.004361 0.42334 5.81395
483 4GQB 0XU 0.0218 0.42085 5.81395
484 2X61 NGA GAL SIA 0.03362 0.41465 5.81395
485 3U1T MLI 0.00007437 0.43979 5.82524
486 1PKK DCP 0.009569 0.40723 5.88235
487 1YOE RIB 0.01846 0.40354 5.90062
488 1Y75 NAG 0.001887 0.40426 5.9322
489 3TXO 07U 0.00302 0.41625 5.94901
490 3R35 4CO 0.00123 0.45762 5.96026
491 1C0I FAD 0.0124 0.42761 5.97403
492 1C0I BE2 0.0124 0.42761 5.97403
493 1QO0 BMD 0.001778 0.42729 5.97403
494 2C7G FAD 0.01906 0.42571 5.97403
495 2C7G ODP 0.0218 0.42226 5.97403
496 1PEA ACM 0.009885 0.40828 5.97403
497 4PLG NAI 0.01412 0.41769 5.98802
498 4PLG OXM 0.01412 0.41769 5.98802
499 2CSN CKI 0.001382 0.44789 6.06061
500 4B4D FAD 0.0009889 0.4469 6.10687
501 2E2R 2OH 0.002575 0.44738 6.14754
502 2YBQ UP2 0.009971 0.42345 6.16438
503 2YBQ SAH 0.005106 0.4152 6.16438
504 1UJ5 5RP 0.001384 0.42744 6.1674
505 2OD9 A1R NCA 0.0006909 0.46713 6.16883
506 2QQF A1R 0.0105 0.41014 6.16883
507 4KQI RBZ 0.00268 0.4428 6.17978
508 4KQI NIO 0.00268 0.4428 6.17978
509 4MP8 MLI 0.02723 0.40479 6.19469
510 4MP8 NAD 0.02723 0.40479 6.19469
511 2Q97 ATP 0.008011 0.4105 6.20155
512 1FBL HTA 0.004812 0.40321 6.21622
513 1K97 ASP 0.00448 0.46866 6.23377
514 1K97 CIR 0.00448 0.46866 6.23377
515 1ZK7 FAD 0.009539 0.43287 6.23377
516 3ULK NDP 0.004192 0.42238 6.23377
517 2QF7 COA 0.002726 0.41805 6.23377
518 3M6W SAM 0.003528 0.41577 6.23377
519 2HMT NAI 0.0349 0.40832 6.25
520 1HFS L04 0.02089 0.40474 6.25
521 3MB5 SAM 0.03509 0.40968 6.27451
522 3ZOD HQE 0.0007063 0.46204 6.28272
523 3ZOD FMN 0.0007063 0.46204 6.28272
524 1T0I FMN 0.008929 0.40323 6.28272
525 3VTF UPG 0.008277 0.40645 6.30631
526 1TU3 GNP 0.001597 0.44521 6.32911
527 1T0S BML 0.001183 0.45034 6.36364
528 2VAR KDF 0.0001096 0.47164 6.38978
529 2VAR KDG 0.0004858 0.44569 6.38978
530 2VAR ANP 0.008437 0.40786 6.38978
531 1FIQ MTE 0.005196 0.42889 6.39269
532 1FIQ FAD 0.01691 0.41105 6.39269
533 1FIQ SAL 0.01693 0.40879 6.39269
534 4A8T PAO 0.02704 0.42169 6.48968
535 2XBN PMP 0.001732 0.4437 6.49351
536 2AMV BIN 0.01085 0.43355 6.49351
537 2AEB ABH 0.01098 0.40929 6.52174
538 2WUF KEM 0.004001 0.42493 6.52921
539 1UBY DMA 0.00364 0.41735 6.53951
540 4F2Q QUS 0.00226 0.42134 6.58915
541 2WQP WQP 0.007422 0.439 6.59026
542 1VDC FAD 0.008843 0.43607 6.60661
543 1T8U A3P 0.002472 0.42833 6.61765
544 1T8U UAP SGN IDS SGN 0.01318 0.42004 6.61765
545 3DDC GNP 0.009272 0.41245 6.62651
546 2GJ3 FAD 0.007516 0.42252 6.66667
547 1GAD NAD 0.01735 0.4021 6.66667
548 2FOI JPA 0.003742 0.40756 6.69145
549 1AX2 NDG GAL 0.003739 0.40201 6.69456
550 2V6O FAD 0.004458 0.46538 6.75325
551 2XVE FAD 0.006881 0.45007 6.75325
552 3HU3 AGS 0.01404 0.43532 6.75325
553 2XVF FAD 0.005903 0.43472 6.75325
554 1H6C SIN 0.01013 0.42619 6.75325
555 2IZ1 ATR 0.002491 0.42113 6.75325
556 1IUP ALQ 0.009925 0.4166 6.75325
557 1H6C NDP 0.01722 0.4138 6.75325
558 1RYD NDP 0.01865 0.41223 6.75325
559 3JYN NDP 0.0002089 0.49429 6.76923
560 2D37 FMN 0.01802 0.4014 6.81818
561 2D37 NAD 0.01932 0.4014 6.81818
562 2PT9 2MH 0.0005231 0.47805 6.85358
563 2PT9 S4M 0.001181 0.45082 6.85358
564 2D0V PQQ 0.002665 0.42698 6.94444
565 2V5K OXM 0.00226 0.41761 6.96864
566 1B8U OAA 0.003407 0.43952 6.99088
567 1B8U NAD 0.006106 0.41376 6.99088
568 3OND NAD 0.0005223 0.49279 7.01299
569 3OND ADN 0.0005223 0.49279 7.01299
570 3K56 IS3 0.0008316 0.43892 7.01299
571 2F2U M77 0.0005766 0.41803 7.01299
572 4QVH COA 0.007929 0.41752 7.01299
573 5T0A A3P 0.00585 0.40107 7.01299
574 1PL6 572 0.02526 0.40218 7.02247
575 1X7D NAD 0.03296 0.40726 7.14286
576 2HJ3 FAD 0.003579 0.42349 7.2
577 1MK1 APR 0.01363 0.40073 7.24638
578 4MWV BCZ 0.001048 0.46837 7.27273
579 1WUR 8DG 0.002176 0.43439 7.27273
580 3SQG TP7 0.00567 0.40735 7.27273
581 1GEX PLP HSA 0.001271 0.44945 7.30337
582 3CBG SAH 0.004648 0.41299 7.32759
583 4JK3 NAD 0.0111 0.41319 7.33591
584 2BLE 5GP 0.008241 0.445 7.35695
585 1YB5 NAP 0.00882 0.42364 7.40741
586 3CQD ATP 0.0238 0.40745 7.44337
587 2HFK E4H 0.0008513 0.42711 7.52351
588 2Q3R FMN 0.01399 0.41525 7.52688
589 2C31 ADP 0.002421 0.47696 7.53247
590 2C31 TZD 0.002494 0.47696 7.53247
591 4QDF 30Q 0.0005336 0.4681 7.53247
592 2IMP LAC 0.0004673 0.45845 7.53247
593 2IMP NAI 0.02489 0.43116 7.53247
594 4BAS GNP 0.001713 0.43691 7.53769
595 4LFL TG6 0.002465 0.41478 7.55814
596 4PO2 ASN ARG LEU LEU LEU THR GLY 0.002254 0.43374 7.65957
597 1P9P SAH 0.004759 0.42005 7.66284
598 1OAA OAA 0.003153 0.45311 7.72201
599 1XLI GLT 0.003374 0.44095 7.79221
600 4GYW UDP 0.004083 0.43606 7.79221
601 1TUF AZ1 0.003546 0.42879 7.79221
602 3NKS FAD 0.009348 0.42575 7.79221
603 3NKS ACJ 0.00256 0.42146 7.79221
604 2ZSC BTN 0.002822 0.41744 7.80142
605 1G8S MET 0.004357 0.41092 7.82609
606 1Q6O LG6 0.0006092 0.44689 7.87037
607 2VBQ BSJ 0.006914 0.42834 7.87879
608 3IU9 T07 0.02178 0.42429 7.98611
609 4RJK PYR 0.00638 0.44245 8.05195
610 2H8Z FMN 0.007169 0.42147 8.05195
611 2H8Z 8CM 0.007169 0.42147 8.05195
612 1V7R CIT 0.01594 0.41299 8.06452
613 1R6W 164 0.0002051 0.46617 8.07453
614 2AE2 NAP 0.02193 0.41189 8.07692
615 2AE2 PTO 0.02193 0.41189 8.07692
616 1UXG NAD 0.000645 0.479 8.09062
617 1UXG FUM 0.000645 0.479 8.09062
618 4E13 NAD 0.006271 0.41327 8.12721
619 1RBO CAP 0.01429 0.45782 8.13008
620 1A5V Y3 0.002266 0.40472 8.22785
621 2Q2V NAD 0.00385 0.43842 8.23529
622 2RDT FMN 0.01249 0.43368 8.31169
623 1REO FAD 0.008281 0.43015 8.31169
624 2ZI8 SDT 0.004144 0.43183 8.33333
625 1QR0 COA 0.003816 0.40722 8.33333
626 1U7Z PMT 0.03492 0.41043 8.40708
627 1DLJ UGA 0.00179 0.4699 8.45771
628 1DLJ NAI 0.00243 0.46374 8.45771
629 1F74 NAY 0.0008595 0.44079 8.53242
630 4BI7 PGA 0.002962 0.40888 8.56031
631 2HGS ADP 0.0008034 0.45262 8.57143
632 2HGS GSH 0.001167 0.43296 8.57143
633 2J7T 274 0.0009878 0.45888 8.60927
634 3BW2 FMN 0.001231 0.45618 8.67209
635 4FWE FAD 0.004495 0.44607 8.83117
636 1SG4 CO8 0.004264 0.42843 8.84615
637 1H9G COA MYR 0.0003577 0.47475 9.0535
638 4M5P MLA 0.00101 0.47286 9.09091
639 1EZV SMA 0.007556 0.41772 9.09091
640 4G09 0VD 0.003331 0.41679 9.09091
641 1EZV UQ6 0.009499 0.40737 9.09091
642 1NUS APC 0.001823 0.46091 9.12698
643 1NUS NMN 0.004554 0.44674 9.12698
644 1NXJ TLA 0.008725 0.40072 9.28962
645 3TN7 NJP 0.01042 0.41691 9.33852
646 3D3W NAP 0.007519 0.42314 9.42623
647 3RGG AIR 0.004909 0.40286 9.43396
648 2R40 20E 0.0004473 0.46709 9.5057
649 2R40 EPH 0.004759 0.43122 9.5057
650 1YGC 905 0.002123 0.43108 9.52381
651 2VPR TDC 0.0000388 0.49564 9.66184
652 4U9W COA 0.005691 0.40937 9.66184
653 1V2X SAM 0.003344 0.42287 9.79381
654 3AHC TPP 0.003865 0.43451 9.87013
655 4N65 FMN 0.02924 0.41005 9.90566
656 1DSS NAD 0.01242 0.407 9.90991
657 4OB6 S2T 0.00002994 0.4308 9.97067
658 3I6B KDO 0.0003539 0.44198 10
659 4NVP 7CH 0.007616 0.4276 10.0478
660 1O6B ADP 0.005099 0.44449 10.0592
661 2B4Q NAP 0.008944 0.41858 10.1449
662 3SFI 3SF 0.0196 0.41412 10.1695
663 3CEV ARG 0.001235 0.42387 10.3679
664 3H22 B53 0.002993 0.43609 10.4377
665 3M1I GTP 0.03696 0.4008 10.5023
666 3QVL 5HY 0.04019 0.4076 10.6122
667 1DJN FMN 0.02966 0.40307 10.6494
668 1XHL NDP 0.006923 0.42595 10.7744
669 2XD9 XD9 0.004577 0.48632 10.7784
670 4CCN OGA 0.0001942 0.43429 10.9091
671 1OFH ADP 0.006195 0.41997 10.9195
672 3F81 STT 0.00861 0.41103 10.929
673 1ERB ETR 0.04028 0.40011 10.929
674 3SSO SAH 0.006514 0.41258 10.9785
675 3U4C NDP 0.01191 0.41186 11.032
676 1Y13 BIO 0.00399 0.40645 11.0497
677 4O1M NAD 0.01091 0.4148 11.1111
678 1NVU GTP 0.004917 0.45268 11.1688
679 1NVV GNP 0.001639 0.44473 11.1688
680 4I71 AGV 0.002952 0.42316 11.2121
681 1CL2 PPG 0.0007779 0.44924 11.4286
682 3GWT 066 0.01385 0.41148 11.6147
683 4G28 0W8 0.001135 0.42531 11.7647
684 1E4E PHY 0.001052 0.43721 11.9534
685 1E4E ADP 0.001923 0.43086 11.9534
686 3BAZ NAP 0.001054 0.45294 12.012
687 1V2G OCA 0.003362 0.41196 12.1053
688 4FGC PQ0 0.001001 0.41663 12.1212
689 3JDW ORN 0.01824 0.40379 12.2078
690 3PNL ADP 0.0005255 0.46039 12.3223
691 2HXT EHM 0.002316 0.42091 12.7273
692 4G4S LDZ 0.001487 0.43334 13.3047
693 1P4C FMN 0.01869 0.43181 13.4211
694 4HAT GNP 0.03151 0.40581 13.4259
695 1EXB NDP 0.03907 0.41847 13.5922
696 1YAG ATP 0.0006403 0.45865 13.6
697 1QW9 KHP 0.002873 0.43428 13.7662
698 1H6W SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 0.0008357 0.48478 14.1026
699 1EDO NAP 0.02075 0.43077 14.3443
700 1OGZ EQU 0.002915 0.41445 14.4
701 4DA6 GA2 0.03296 0.41374 14.6245
702 3DAG FEG 0.002145 0.43972 14.8045
703 2NLI FMN 0.008167 0.43929 14.9457
704 2NLI LAC 0.008167 0.43929 14.9457
705 1R27 MGD 0.001006 0.46797 15.8442
706 1O7N IND 0.008311 0.40982 15.9794
707 3H86 AP5 0.02218 0.41634 16.1458
708 1QJC PNS 0.01879 0.42425 16.4557
709 3UXL CFI 0.01328 0.44849 16.7102
710 1JA9 NDP 0.003684 0.46693 16.7883
711 3PVT 3HC 0.0009543 0.47019 17.7606
712 1CBF SAH 0.001995 0.42588 18.9474
713 1YFZ IMP 0.001931 0.40729 19.0244
714 3UIE ADX 0.00255 0.41922 19.5
715 3UIE ANP 0.002619 0.41373 19.5
716 1H2K OGA 0.0005652 0.41804 19.5122
717 3EW2 BTN 0.002691 0.41053 20.7407
718 4NPT 017 0.003485 0.40879 21.2121
719 1A8R GTP 0.00416 0.41891 21.7195
720 4W97 UCA 0.004989 0.42246 22.5
721 3DGB MUC 0.0001925 0.42281 23.5602
722 4UBP HAE 0.007145 0.41001 25.3968
723 4UMA GZ3 0.0000000001539 0.72459 27.3504
724 1OF8 PEP 0.00000000009764 0.79888 28.8312
725 1OF8 G3P 0.0000000002887 0.79096 28.8312
726 1JYQ MAZ PTR PTM ASN 0.01389 0.42855 32.2917
727 1ECM TSA 0.0009223 0.41822 42.2018
728 1G7V PAI 0.01244 0.41417 44.3662
729 3FYP PEP 0.00000001458 0.66494 46.0714
730 2NX1 PEP 0.00000000001082 0.80124 46.4419
731 2NX1 RP5 0.00000002385 0.47663 46.4419
Pocket No.: 2; Query (leader) PDB : 3TFC; Ligand: PEP; 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: 3tfc.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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