Receptor
PDB id Resolution Class Description Source Keywords
2YPO 2 Å EC: 2.5.1.54 3-DEOXY-D-ARABINO-HEPTULOSONATE 7-PHOSPHATE SYNTHASE WITH PHENYLALANINE BOUND IN ONLY ONE SITE MYCOBACTERIUM TUBERCULOSIS SHIKIMATE PATHWAY TRANSFERASE AROMATIC AMINO ACID BIOSYNTHALLOSTERY
Ref.: THREE SITES AND YOU ARE OUT: TERNARY SYNERGISTIC AL CONTROLS AROMATIC AMINOACID BIOSYNTHESIS IN MYCOBAC TUBERCULOSIS. J.MOL.BIOL. V. 425 1582 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:802;
B:805;
B:803;
B:804;
A:804;
A:801;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
MN B:700;
A:700;
Part of Protein;
Part of Protein;
none;
none;
submit data
54.938 Mn [Mn+2...
SO4 B:806;
A:803;
A:800;
B:802;
B:801;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
PHE B:900;
A:900;
Valid;
Valid;
none;
none;
Kd = 21 uM
165.189 C9 H11 N O2 c1ccc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2YPO 2 Å EC: 2.5.1.54 3-DEOXY-D-ARABINO-HEPTULOSONATE 7-PHOSPHATE SYNTHASE WITH PHENYLALANINE BOUND IN ONLY ONE SITE MYCOBACTERIUM TUBERCULOSIS SHIKIMATE PATHWAY TRANSFERASE AROMATIC AMINO ACID BIOSYNTHALLOSTERY
Ref.: THREE SITES AND YOU ARE OUT: TERNARY SYNERGISTIC AL CONTROLS AROMATIC AMINOACID BIOSYNTHESIS IN MYCOBAC TUBERCULOSIS. J.MOL.BIOL. V. 425 1582 2013
Members (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 5E40 - DTY C9 H11 N O3 c1cc(ccc1C....
2 3PFP - 036 C7 H16 O10 P2 C(CC[C@H](....
3 3NV8 - PEP C3 H5 O6 P C=C(C(=O)O....
4 5E2L Kd = 93 uM DPN C9 H11 N O2 c1ccc(cc1)....
5 2B7O - PEP C3 H5 O6 P C=C(C(=O)O....
6 2YPP Kd = 39 uM TYR C9 H11 N O3 c1cc(ccc1C....
7 2YPO Kd = 21 uM PHE C9 H11 N O2 c1ccc(cc1)....
8 5E5G Kd = 700 uM DTR C11 H12 N2 O2 c1ccc2c(c1....
9 5E7Z - TRP C11 H12 N2 O2 c1ccc2c(c1....
10 3KGF - PHE C9 H11 N O2 c1ccc(cc1)....
11 3NUE - TRP C11 H12 N2 O2 c1ccc2c(c1....
12 5E4N - DTY C9 H11 N O3 c1cc(ccc1C....
70% Homology Family (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 5E40 - DTY C9 H11 N O3 c1cc(ccc1C....
2 3PFP - 036 C7 H16 O10 P2 C(CC[C@H](....
3 3NV8 - PEP C3 H5 O6 P C=C(C(=O)O....
4 5E2L Kd = 93 uM DPN C9 H11 N O2 c1ccc(cc1)....
5 2B7O - PEP C3 H5 O6 P C=C(C(=O)O....
6 2YPP Kd = 39 uM TYR C9 H11 N O3 c1cc(ccc1C....
7 2YPO Kd = 21 uM PHE C9 H11 N O2 c1ccc(cc1)....
8 5E5G Kd = 700 uM DTR C11 H12 N2 O2 c1ccc2c(c1....
9 5E7Z - TRP C11 H12 N2 O2 c1ccc2c(c1....
10 3KGF - PHE C9 H11 N O2 c1ccc(cc1)....
11 3NUE - TRP C11 H12 N2 O2 c1ccc2c(c1....
12 5E4N - DTY C9 H11 N O3 c1cc(ccc1C....
50% Homology Family (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 5E40 - DTY C9 H11 N O3 c1cc(ccc1C....
2 3PFP - 036 C7 H16 O10 P2 C(CC[C@H](....
3 3NV8 - PEP C3 H5 O6 P C=C(C(=O)O....
4 5E2L Kd = 93 uM DPN C9 H11 N O2 c1ccc(cc1)....
5 2B7O - PEP C3 H5 O6 P C=C(C(=O)O....
6 2YPP Kd = 39 uM TYR C9 H11 N O3 c1cc(ccc1C....
7 2YPO Kd = 21 uM PHE C9 H11 N O2 c1ccc(cc1)....
8 5E5G Kd = 700 uM DTR C11 H12 N2 O2 c1ccc2c(c1....
9 5E7Z - TRP C11 H12 N2 O2 c1ccc2c(c1....
10 3KGF - PHE C9 H11 N O2 c1ccc(cc1)....
11 3NUE - TRP C11 H12 N2 O2 c1ccc2c(c1....
12 5E4N - DTY C9 H11 N O3 c1cc(ccc1C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PHE; Similar ligands found: 23
No: Ligand ECFP6 Tc MDL keys Tc
1 PHE 1 1
2 DPN 1 1
3 NFA 0.657143 0.666667
4 PBF 0.577778 0.814815
5 TYR 0.564103 0.814815
6 DTY 0.564103 0.814815
7 0A9 0.560976 0.692308
8 PFF 0.55 0.814815
9 4BF 0.55 0.814815
10 PHI 0.55 0.814815
11 4AF 0.52381 0.846154
12 0A1 0.52381 0.733333
13 4CF 0.511628 0.88
14 ING 0.511628 0.666667
15 TFQ 0.5 0.785714
16 33S 0.488889 0.814815
17 NAL 0.44898 0.846154
18 DAH 0.444444 0.6875
19 E42 0.442308 0.733333
20 BP5 0.433962 0.6875
21 2LT 0.422222 0.647059
22 IYR 0.416667 0.666667
23 TIH 0.4 0.75
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2YPO; Ligand: PHE; Similar sites found: 487
This union binding pocket(no: 1) in the query (biounit: 2ypo.bio1) has 32 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3S9K CIT 0.002302 0.51115 None
2 1UO5 PIH 0.004725 0.48196 None
3 1UO4 PIH 0.004008 0.47598 None
4 1ECM TSA 0.001065 0.45296 None
5 1WRA PC 0.003705 0.45364 0.974026
6 2F2U M77 0.0004864 0.46134 0.995025
7 4PNI KQQ 0.001458 0.40108 1.08225
8 1KYZ SAH 0.004019 0.40322 1.09589
9 2GSD NAD 0.0003343 0.41151 1.24378
10 1MXI SAH 0.002213 0.4125 1.25
11 4DYO SD4 0.000952 0.45502 1.2987
12 2YFT DQR 0.0002775 0.45453 1.2987
13 4EPL JAI 0.002852 0.41639 1.2987
14 3DX5 DHB 0.002247 0.43408 1.3986
15 1FP2 SAH 0.007316 0.40474 1.42045
16 1E5F PLP 0.0007668 0.4379 1.48515
17 1I2B NAD 0.00059 0.4231 1.48515
18 1I2B USQ 0.00059 0.4231 1.48515
19 1I2B UPG 0.00059 0.4231 1.48515
20 1WDA BAG 0.01023 0.41137 1.51515
21 1T26 NAI 0.006018 0.41023 1.5528
22 1T26 GBD 0.006018 0.41023 1.5528
23 3P7I P7I 0.001922 0.44775 1.55763
24 1K6M AGS 0.0002334 0.43418 1.62037
25 2FFC U5P 0.001424 0.41935 1.69972
26 2Q1A 2KT 0.001845 0.46114 1.70648
27 2O4J VD4 0.0001608 0.42376 1.71233
28 3P3N AKG 0.004893 0.44139 1.7192
29 4B7E OGA 0.008543 0.42456 1.7192
30 2WA4 069 0.00499 0.41539 1.7192
31 1HSJ GLC 0.0007869 0.52638 1.7316
32 4RJK PYR 0.001202 0.48541 1.7316
33 2JC9 ADN 0.004069 0.43353 1.7316
34 4HA6 FAD 0.0001482 0.43176 1.7316
35 4WVH ASP HIS ASP ALA HIS ALA 0.01484 0.4045 1.7316
36 4RJK TPP 0.0006411 0.40245 1.7316
37 2BO4 FLC 0.0003496 0.50314 1.76322
38 3K3G MMU 0.003943 0.43687 1.76471
39 1Z44 NPO 0.01015 0.46298 1.77515
40 1Z42 HBA 0.02073 0.44507 1.77515
41 1Z48 FMN 0.0006771 0.43993 1.77515
42 1Z42 FMN 0.00285 0.4251 1.77515
43 1Z41 FMN 0.006094 0.40394 1.77515
44 1V35 NAI 0.0002374 0.42332 1.82371
45 3ZPG 5GP 0.0141 0.43852 1.83246
46 4E28 9MZ 0.002034 0.45917 1.84615
47 4E28 0MZ 0.003588 0.44157 1.84615
48 1Q6O LG6 0.00191 0.42295 1.85185
49 2EJU SAH 0.001568 0.41785 1.85185
50 1F1V DHY 0.001966 0.44171 1.85759
51 4HZO COA 0.000982 0.46047 1.88679
52 4O1M NAD 0.0001897 0.41132 1.90476
53 4IHQ ADP 0.001059 0.45306 1.94805
54 1C7S CBS 0.0009634 0.44387 1.94805
55 1ZED PNP 0.03039 0.40926 1.94805
56 1OYB FMN 0.001225 0.40682 1.94805
57 2RCN GDP 0.008549 0.41023 1.95531
58 4C2G ALA ALA ALA ALA 0.004416 0.42684 2.01794
59 3O7B SAH 0.0005136 0.43518 2.04918
60 2D2I NAP 0.0009415 0.40708 2.10526
61 3AYS CT3 0.01307 0.40262 2.12766
62 2WK1 SAH 0.002805 0.40169 2.12766
63 1O68 KIV 0.003054 0.43897 2.18182
64 2FOI JPA 0.001342 0.44327 2.23048
65 1NZY BCA 0.00004997 0.42265 2.23048
66 3KO8 NAD 0.00024 0.40091 2.24359
67 1PL6 572 0.000101 0.42372 2.24719
68 3OIG NAD 0.0005308 0.42787 2.25564
69 2PP3 LGT 0.003985 0.41498 2.26131
70 2OHV NHL 0.007696 0.41661 2.27273
71 5EQU AKG 0.02277 0.42118 2.29508
72 3LST SAH 0.008689 0.40183 2.29885
73 4QDC ASD 0.000178 0.42063 2.30769
74 4Q0A 4OA 0.0007525 0.42926 2.31788
75 4B9E FAH 0.004184 0.45108 2.32558
76 4NTD FAD 0.0004532 0.41143 2.35294
77 2QV7 ADP 0.00579 0.40478 2.37389
78 2NVK NAP 0.002876 0.44011 2.38095
79 3Q9T FAY 0.00008797 0.43245 2.38095
80 1UOU CMU 0.001492 0.43152 2.38095
81 3NYQ MCA 0.0002324 0.40163 2.38095
82 1XVA SAM 0.0006139 0.42818 2.39726
83 1LVL FAD 0.0007046 0.41129 2.40175
84 1I0Z OXM 0.008332 0.45049 2.4024
85 4KOA NDP 0.003682 0.4083 2.4024
86 3SIX GDP 0.01012 0.40311 2.42424
87 1JQ5 NAD 0.01341 0.40848 2.43243
88 1NNS ASP 0.009246 0.40883 2.45399
89 1KTC NGA 0.002285 0.44447 2.46914
90 3MTW M3R 0.002673 0.41745 2.48139
91 1UW1 ADP 0.005315 0.43387 2.5
92 2HFK E4H 0.001699 0.45008 2.50784
93 4JP3 CIT 0.004963 0.41548 2.51046
94 2BZ1 TAU 0.01141 0.46006 2.55102
95 4M51 BEZ 0.00009758 0.54004 2.57611
96 1JQI CAA 0.0002381 0.42596 2.57732
97 1QH9 LAC 0.001163 0.47048 2.58621
98 3TKA CTN 0.003301 0.49723 2.59366
99 3TKA SAM 0.001658 0.40946 2.59366
100 2QJN KDG 0.001204 0.43513 2.5974
101 1R27 MGD 0.0002688 0.41559 2.5974
102 1V5F FAD 0.01315 0.4127 2.5974
103 1V5F TPP 0.01315 0.4127 2.5974
104 3MAG 3MA 0.0007951 0.51424 2.60586
105 4L1F COS 0.0007821 0.41312 2.61097
106 4L1F FAD 0.000119 0.40309 2.61097
107 2P69 PLP 0.002439 0.44913 2.61438
108 1M5B BN1 0.00005866 0.45648 2.6616
109 1FBL HTA 0.002497 0.4322 2.7027
110 9LDT OXM 0.02488 0.43259 2.71084
111 2NLI LAC 0.0006415 0.42526 2.71739
112 2NLI FMN 0.000922 0.41866 2.71739
113 1GPJ CIT 0.002237 0.45724 2.72277
114 3MB5 SAM 0.002174 0.402 2.7451
115 3V91 UPG 0.000858 0.41543 2.74914
116 1FW1 GSH 0.0008836 0.44034 2.77778
117 4C6F DOR 0.008511 0.41031 2.79898
118 4C6F NCD 0.008511 0.41031 2.79898
119 4O8A 2OP 0.005047 0.46188 2.81385
120 1GJW GLC 0.002717 0.46015 2.81385
121 3T1A 5MA 0.0002208 0.44829 2.81385
122 2IZ1 ATR 0.004596 0.44266 2.81385
123 1GJW MAL 0.002374 0.4331 2.81385
124 1PX8 XYP 0.007621 0.4268 2.81385
125 1L8N GCW 0.001592 0.40313 2.81385
126 2OFE NAG 0.0009111 0.47542 2.8169
127 3SJ0 DXC 0.001893 0.46773 2.8169
128 2OFD NGA 0.01258 0.42221 2.8169
129 1A5Z OXM 0.00977 0.43972 2.82132
130 3K3K A8S 0.0004168 0.43404 2.8436
131 1GSA ADP 0.001678 0.4037 2.8481
132 4R33 SAH 0.0002733 0.41269 2.85714
133 4R33 TRP 0.0002733 0.41269 2.85714
134 2BGM NAJ 0.002006 0.40798 2.8777
135 1RYI GOA 0.02474 0.43325 2.87958
136 2GWD GLU 0.0009476 0.45511 2.89532
137 1GV0 NAD 0.0003473 0.40391 2.90323
138 4LIT AKG 0.009894 0.42168 2.9484
139 1XE7 GUN 0.01662 0.43476 2.95567
140 4L6C 0BT 0.00009895 0.44654 2.9703
141 3CQ5 PMP 0.005433 0.42303 2.98103
142 2GDZ NAD 0.0001238 0.41654 2.99625
143 3D3H M4O 0.0007615 0.43801 3
144 2XNJ FAD 0.005018 0.435 3.00752
145 4G1V FAD 0.0001056 0.41369 3.00752
146 1T10 F6P 0.001878 0.45424 3.0303
147 1G8S MET 0.002875 0.45217 3.04348
148 1H0C AOA 0.01848 0.41981 3.06122
149 4OJ8 AKG 0.00001366 0.48576 3.07167
150 4OJ8 2TQ 0.0004692 0.42412 3.07167
151 4IMG NGF 0.001179 0.4183 3.07167
152 1H8G CHT 0.00144 0.51141 3.15789
153 4E13 NAD 0.001042 0.41631 3.18021
154 1HYE NAP 0.001557 0.40344 3.19489
155 2Z1U ATP 0.001255 0.42983 3.207
156 3V1V GST 0.00109 0.42771 3.23326
157 2ZJ5 ADP 0.001229 0.46253 3.24675
158 1KYQ NAD 0.0004454 0.4374 3.28467
159 1EXB NDP 0.002729 0.41199 3.31325
160 3LZW FAD 0.0007694 0.40463 3.31325
161 2Q37 3AL 0.003142 0.44417 3.31492
162 4P4T GDP 0.0007398 0.42952 3.33333
163 1LDM NAD 0.001267 0.41881 3.34347
164 4FFS BIG 0.001231 0.40674 3.34728
165 3HB5 E2B 0.00149 0.40078 3.36391
166 2Q09 DI6 0.005373 0.42323 3.36538
167 1SNY NAP 0.0004879 0.40921 3.37079
168 3EE4 MYR 0.00004608 0.46234 3.40557
169 1R6W 164 0.0003814 0.44933 3.41615
170 3UEC ALA ARG TPO LYS 0.003442 0.45518 3.42466
171 3F3E LEU 0.00001794 0.45141 3.4632
172 3WE0 FAD 0.0002281 0.4261 3.4632
173 3O2K QRP 0.004165 0.42307 3.4632
174 3O2K DST 0.01615 0.40733 3.4632
175 2YYJ FAD 0.007291 0.40244 3.4632
176 2YYJ 4HP 0.007291 0.40244 3.4632
177 1SJW NGV 0.003909 0.41122 3.47222
178 4DEC UDP 0.0004947 0.40903 3.48837
179 4DEC 3PG 0.0004947 0.40903 3.48837
180 2JAR UMP 0.0006784 0.43086 3.5
181 1MOQ GLP 0.001073 0.42375 3.53261
182 1U7Z PMT 0.0002832 0.41085 3.53982
183 2ZSC BTN 0.0002483 0.46169 3.5461
184 3U1T MLI 0.0005257 0.49459 3.55987
185 1H2B NAJ 0.0004805 0.40425 3.62117
186 1LYX PGA 0.001007 0.43813 3.62903
187 1Y9Q MED 0.01763 0.41534 3.64583
188 2ZYF AKG 0.003503 0.4311 3.66492
189 4WBD CIT 0.0014 0.48208 3.67965
190 3TFC PEP 0.0004985 0.4733 3.67965
191 4WBD ADP 0.004911 0.44772 3.67965
192 3BK2 U5P 0.002745 0.42575 3.67965
193 3GWT 066 0.0001162 0.41892 3.68272
194 4L7I SAM 0.00104 0.42845 3.6855
195 4IAE 1DX 0.0003353 0.42947 3.7037
196 1AUA BOG 0.004009 0.43382 3.71622
197 4JLV ADP 0.01397 0.45055 3.71747
198 4M4Q 21A 0.0007689 0.40986 3.73444
199 3I8P 840 0.0002216 0.45821 3.74707
200 3PXP MYR 0.0002359 0.4521 3.76712
201 3NNF AKG 0.004993 0.44098 3.77907
202 2B82 ADN 0.00001453 0.4186 3.79147
203 2QCX PF1 0.00001667 0.54662 3.80228
204 1A27 EST 0.007716 0.40006 3.80623
205 2JL1 NAP 0.0002481 0.4333 3.83275
206 1H2M OGA 0.01335 0.42101 3.84615
207 1SG4 CO8 0.0004305 0.41085 3.84615
208 2C5S AMP 0.005642 0.42233 3.87409
209 4PLG OXM 0.0008967 0.40149 3.89222
210 4PLG NAI 0.0008967 0.40149 3.89222
211 3QO8 SSA 0.001544 0.42643 3.8961
212 1Q3Q ANP 0.002504 0.40493 3.8961
213 1BUC CAA 0.001168 0.40413 3.91645
214 2VHJ ADP 0.0000887 0.45745 3.92749
215 4JWX 1N4 0.001994 0.44705 3.92857
216 3U7Y FLC 0.01197 0.46616 3.93013
217 1CKM GTP 0.0005516 0.4298 3.93939
218 2GJN NIS 0.0006338 0.4026 3.96341
219 1YB5 NAP 0.00003095 0.41783 3.9886
220 1Q11 TYE 0.0007172 0.46642 4.03226
221 1EYQ NAR 0.007653 0.41672 4.05405
222 4JEJ 1GP 0.01079 0.402 4.09836
223 4EXO PYR 0.00624 0.44952 4.10959
224 4OB6 S2T 0.0006271 0.44119 4.11255
225 4OYA 1VE 0.006098 0.41187 4.11255
226 2JFV FLC 0.001626 0.46371 4.12371
227 4B16 NAG 0.02034 0.43741 4.13534
228 2DTX BMA 0.0002307 0.42132 4.16667
229 2HNK SAH 0.001894 0.41112 4.1841
230 1T0I FMN 0.0006488 0.43156 4.18848
231 1EB9 HBA 0.001647 0.43459 4.19847
232 3KMT SAH 0.0003197 0.45744 4.20168
233 3D2Y AH0 ALA FGA LYS 0.0003313 0.44199 4.21456
234 1Y2W NAG 0.002368 0.45609 4.22535
235 3PLN U5P 0.008058 0.42056 4.24528
236 2HGZ PBF 0.0001049 0.4056 4.24837
237 3W54 RNB 0.00003027 0.49708 4.25532
238 3RF4 FUN 0.0007449 0.4657 4.31034
239 2DWU DGL 0.002632 0.43635 4.34783
240 1E4E ADP 0.000358 0.44079 4.37318
241 1E4E PHY 0.001116 0.43176 4.37318
242 3GJB AKG 0.001155 0.45148 4.38871
243 2VQ5 HBA 0.001132 0.47851 4.47761
244 2VQ5 LDP 0.007876 0.45177 4.47761
245 1H6W SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 0.001565 0.40598 4.48718
246 4KGM ATP 0.007877 0.40747 4.4898
247 3ZGE ASP 0.00613 0.4499 4.54545
248 4J7H TRH 0.0005215 0.43065 4.54545
249 3SCH TB6 0.01023 0.42643 4.54545
250 1ZZ7 S0H 0.01169 0.41348 4.54545
251 4J7H TLO 0.00199 0.40676 4.54545
252 1Y42 TYR 0.002156 0.44557 4.59184
253 3NGU ADP 0.007732 0.4038 4.63576
254 3M31 FAD 0.001459 0.40435 4.63918
255 1NHZ 486 0.0005047 0.42307 4.64286
256 3ZOD HQE 0.00064 0.40566 4.71204
257 3ZOD FMN 0.00064 0.40566 4.71204
258 1ZS6 ADP 0.00907 0.41359 4.73373
259 2ZO9 MLI 0.006679 0.41245 4.74453
260 2XVE FAD 0.001621 0.41392 4.7619
261 1A8S PPI 0.01183 0.40237 4.7619
262 1VF1 GSH 0.003602 0.40493 4.80349
263 3I51 45C 0.0006942 0.44954 4.81482
264 2R5T ANP 0.00112 0.41158 4.82574
265 4U9W SER GLY ARG GLY LYS NH2 0.01009 0.42394 4.83092
266 4U9W COA 0.004878 0.40381 4.83092
267 1WNG SAH 0.0009278 0.42193 4.90566
268 1EDO NAP 0.0003344 0.44042 4.91803
269 4RPM HXC 0.03843 0.42966 4.92611
270 3BY8 MLT 0.01049 0.43176 4.92958
271 1C0I BE2 0.0009226 0.40976 4.95868
272 1C0I FAD 0.0009226 0.40976 4.95868
273 1Z45 NAD 0.0004569 0.40055 4.97835
274 1XX4 BAM 0.001684 0.45326 4.98084
275 1EYE PMM 0.00114 0.44096 5
276 1YOA FMN 0.01084 0.46133 5.03145
277 1YOA FAD 0.001148 0.41123 5.03145
278 1SC3 MLI 0.002671 0.46801 5.05618
279 2Z9V PXM 0.005591 0.4275 5.10204
280 2OWZ CIT 0.004195 0.44451 5.12048
281 2OWZ F6P 0.0005241 0.43938 5.12048
282 2Q8M AMP 0.001303 0.43865 5.12048
283 4CJN QNZ 0.02431 0.44489 5.19481
284 2O2C G6Q 0.006214 0.40362 5.19481
285 5RHN 8BR 0.0001385 0.4659 5.21739
286 4AF5 CIT 0.001243 0.46913 5.26316
287 3BRE C2E 0.001534 0.46488 5.30726
288 3I0O ADP 0.0007908 0.45268 5.30973
289 2BOI MFU 0.01725 0.40606 5.30973
290 3I0O SMI 0.02411 0.40413 5.30973
291 2VDJ HSE 0.003281 0.46353 5.31561
292 1ULE GLA GAL NAG 0.03991 0.40877 5.33333
293 4JCA CIT 0.009497 0.45554 5.38922
294 1DXY COI 0.003146 0.4726 5.40541
295 1B63 ANP 0.001722 0.40539 5.40541
296 3RK0 AMP 0.001582 0.43528 5.48523
297 3A2Y TS5 0.001786 0.41984 5.58376
298 3UST FAD 0.0002655 0.45525 5.61798
299 4K30 NLG 0.0001361 0.49788 5.625
300 3HAZ NAD 0.0003628 0.40337 5.62771
301 3HAZ FAD 0.0002981 0.40217 5.62771
302 1KYV RBF 0.0003065 0.44793 5.66038
303 4COQ SAN 0.0005821 0.48448 5.66802
304 2J5S KTA 0.00259 0.41006 5.70342
305 1VDC FAD 0.0002387 0.42973 5.70571
306 2VAR AMP 0.000192 0.47789 5.7508
307 2VAR ANP 0.0001254 0.44757 5.7508
308 2VAR KDG 0.0008372 0.4463 5.7508
309 2VAR KDF 0.002424 0.4279 5.7508
310 1A59 COA 0.0004053 0.43886 5.82011
311 1A59 CIT 0.03775 0.40464 5.82011
312 3W8S GSH 0.02792 0.40122 5.82524
313 1C1L GAL BGC 0.001667 0.4704 5.83942
314 1ZJ6 G3D 0.0106 0.40231 5.88235
315 3EW2 BTN 0.002992 0.43399 5.92593
316 2NCD ADP 0.008556 0.42453 5.95238
317 1QDS PGA 0.008623 0.41007 5.9761
318 1VL8 NAP 0.0001648 0.40192 5.99251
319 1Y1A GSH 0.008031 0.47338 6.01093
320 2YIV NBN 0.0002244 0.51243 6.06061
321 2YIV YIV 0.0009961 0.48949 6.06061
322 4CCO OGA 0.001321 0.45485 6.06061
323 1YBH FAD 0.007287 0.4045 6.06061
324 2R14 FMN 0.0005168 0.40846 6.1008
325 1TUV VK3 0.01326 0.43991 6.14035
326 4M5P 23W 0.0007973 0.49433 6.14251
327 4M5P MLA 0.00549 0.46853 6.14251
328 4M5P FMN 0.00009292 0.45199 6.14251
329 4F8L GAL 0.01147 0.45992 6.2069
330 1TH8 ADP 0.005081 0.41952 6.2069
331 4KCT PYR 0.007442 0.41723 6.27706
332 4KCT FDP 0.009414 0.40437 6.27706
333 3DNT ATP 0.0009878 0.40984 6.36364
334 2ORV 4TA 0.0009812 0.40652 6.41026
335 3ZUY TCH 0.002791 0.43021 6.50155
336 1UF5 CDT 0.001463 0.44173 6.60066
337 3BAZ NAP 0.0002888 0.41963 6.60661
338 1H16 PYR 0.001013 0.48913 6.70996
339 3QV9 QV7 0.002709 0.44708 6.70996
340 1H16 DTL 0.04789 0.41044 6.70996
341 1QF5 GDP 0.001076 0.40963 6.72854
342 1QF5 RPL 0.001076 0.40963 6.72854
343 1QO0 BMD 0.001931 0.46023 6.75325
344 1PEA ACM 0.008879 0.44182 6.75325
345 3MD0 GDP 0.002827 0.43504 6.76056
346 2VPR TDC 0.0003822 0.44929 6.76329
347 3KMZ EQO 0.0004624 0.41332 6.76692
348 3QP6 HL6 0.001255 0.43443 6.79245
349 3B96 MYA 0.0007615 0.42492 6.81431
350 4Q3F TLA 0.007633 0.43237 6.83761
351 2FR6 CTN 0.00005162 0.47085 6.84932
352 2FR6 URI 0.0002014 0.44972 6.84932
353 3GTD MLI 0.002657 0.44746 6.92641
354 2IMP NAI 0.003185 0.41335 6.92641
355 2W3L DRO 0.013 0.44037 6.94444
356 2FEQ 34P 0.002462 0.41472 6.94981
357 2A2X NA9 0.001978 0.41425 6.94981
358 1PR9 NAP 0.000404 0.40642 6.96721
359 3D3W NAP 0.0004475 0.40514 6.96721
360 4N02 FNR 0.001126 0.4126 7.0028
361 2F59 INI 0.00139 0.41973 7.00637
362 1CBF SAH 0.006405 0.40312 7.01754
363 1MQ0 BRD 0.001036 0.43765 7.14286
364 3L24 GOA 0.03237 0.41949 7.14286
365 1Q0H NDP 0.0009859 0.4108 7.14286
366 1Q0H FOM 0.0008532 0.4108 7.14286
367 2ZJF BSU 0.0008759 0.45086 7.18232
368 1R37 NAD 0.0004765 0.40571 7.20461
369 3L6R MLI 0.01303 0.42719 7.22543
370 1JGS SAL 0.00006863 0.58676 7.24638
371 2B7N NTM 0.0005334 0.47886 7.32601
372 1N9L FMN 0.001151 0.42265 7.33945
373 2ZWS PLM 0.001092 0.51827 7.35931
374 2QF7 COA 0.0008031 0.44194 7.35931
375 2RHQ GAX 0.0006051 0.42046 7.35931
376 3OND NAD 0.0005799 0.41788 7.35931
377 3OND ADN 0.0005799 0.41788 7.35931
378 3KJQ B94 0.003554 0.42127 7.36842
379 1JH7 UVC 0.01644 0.41169 7.40741
380 3IPQ 965 0.000146 0.41452 7.42049
381 3R51 MMA 0.02852 0.42241 7.5
382 1TDF FAD 0.0003181 0.42489 7.59494
383 1TDF NAP 0.002883 0.41121 7.59494
384 3DG6 MUC 0.001307 0.43375 7.62943
385 2XDQ MGX 0.005686 0.45917 7.79221
386 1QPB TPP 0.0003374 0.41405 7.79221
387 1QPB PYM 0.0006283 0.4059 7.79221
388 3PMD 11A 0.00144 0.44201 7.84314
389 2YLD CMO 0.00005769 0.53124 7.87402
390 4IXW IXW 0.002141 0.44014 7.87402
391 3SQG COM 0.01836 0.43986 7.8853
392 3JQ3 ADP 0.008257 0.41085 7.9235
393 4N7C AEF 0.002602 0.46105 7.95455
394 1SQ5 PAU 0.00122 0.45636 8.11688
395 1SQ5 ADP 0.003119 0.42353 8.11688
396 2WCI GSH 0.02778 0.40132 8.14815
397 2Y7G AAE 0.0005826 0.44239 8.15603
398 3TN7 NJP 0.0001899 0.40761 8.17121
399 4NM5 ADP 0.0007722 0.41694 8.22281
400 2EB5 OXL 0.001597 0.46406 8.2397
401 3NFZ 3NF 0.002099 0.43039 8.25688
402 1XIU REA 0.00005881 0.47423 8.26087
403 3GX0 GDS 0.002872 0.40481 8.37209
404 1OGD RIP 0.0003818 0.47835 8.39695
405 1V6A TRE 0.025 0.40341 8.43373
406 1XOC VAL ASP SER LYS ASN THR SER SER TRP 0.001114 0.40212 8.44156
407 1Y75 NAG 0.0004474 0.46888 8.47458
408 2C2A ADP 0.001159 0.42673 8.52713
409 1B5E DCM 0.004829 0.42519 8.53659
410 1QZZ SAM 0.005994 0.4081 8.82353
411 2Q8H TF4 0.0006071 0.50988 8.84521
412 1L3I SAH 0.0001469 0.42494 8.85417
413 2O66 FLC 0.001745 0.45568 8.88889
414 4PTZ FMN 0.002569 0.41404 8.90052
415 2Y6P CTP 0.00669 0.41461 8.97436
416 4NC7 I3C 0.01533 0.42376 9.09091
417 1O9U ADZ 0.0005077 0.51393 9.14286
418 2YDW WSH 0.001255 0.44445 9.15033
419 3ZF8 GDP 0.002739 0.43055 9.18033
420 1QY1 PRZ 0.0001653 0.4435 9.1954
421 4NAO AKG 0.01869 0.41957 9.20245
422 4W6Z ETF 0.02124 0.42916 9.2219
423 2EWM NAD 0.0004745 0.40157 9.23695
424 1VE3 SAM 0.0002563 0.44598 9.2511
425 1GU3 BGC BGC BGC BGC BGC 0.003349 0.43723 9.39597
426 1Y7P RIP 0.01309 0.43333 9.41704
427 3VTF UPG 0.003265 0.40287 9.68468
428 3CF6 SP1 0.0007025 0.43933 9.74026
429 3A1I UNU 0.001771 0.43832 9.74026
430 1UCN ADP 0.0008608 0.44078 9.86842
431 3SHR CMP 0.0005753 0.45835 10.0334
432 3GM5 CIT 0.002827 0.4525 10.0629
433 3BW2 FMN 0.0003869 0.40258 10.2981
434 3DER ALA LYS 0.001751 0.40865 10.4348
435 2Y7P SAL 0.0002857 0.48384 10.5505
436 1W7J ADP BEF 0.0004061 0.44345 10.596
437 1EP2 ORO 0.00002598 0.44224 10.6109
438 1F5F DHT 0.0001545 0.45884 10.7317
439 4G28 0W8 0.00009631 0.49707 10.7843
440 2V5E SCR 0.0007523 0.51555 10.8911
441 1NXJ TLA 0.005454 0.40387 10.929
442 3QP4 HL0 0.001036 0.43296 10.989
443 3QDY CBS 0.003503 0.45482 11.1888
444 3QDT A2G GAL 0.01895 0.42521 11.1888
445 3QDY A2G GAL 0.03415 0.41223 11.1888
446 4JK3 NAD 0.0003871 0.40569 11.1969
447 2PT9 2MH 0.0004152 0.40744 11.215
448 2PT9 S4M 0.0001284 0.40638 11.215
449 1B55 4IP 0.007499 0.40432 11.8343
450 3OCZ SRA 0.002606 0.41381 11.9048
451 1X92 M7P 0.01012 0.40311 12.0603
452 4UAL 3FV 0.005871 0.40085 12.1718
453 3DGB MUC 0.002543 0.42707 12.3037
454 3HF3 FMN 0.001262 0.40986 12.3209
455 1KDK DHT 0.0006044 0.42047 12.4294
456 1T0S BML 0.000101 0.53928 12.7907
457 4LHM AZZ 0.0004612 0.48171 12.9545
458 3F81 STT 0.01454 0.43782 13.1148
459 1LTH NAD 0.0003581 0.42812 13.1661
460 3O55 FAD 0.0006403 0.40895 13.6
461 2IYG FMN 0.0003184 0.46303 13.7097
462 1YRX FMN 0.001529 0.43111 14.0496
463 1QD0 RR6 0.001145 0.44089 14.0625
464 3LTW HLZ 0.000344 0.49512 14.2857
465 2PVQ GSH 0.002397 0.41515 14.9254
466 1SS4 CIT 0.001085 0.50195 15.0327
467 1SS4 GSH 0.007361 0.47141 15.0327
468 1FIQ SAL 0.0001041 0.42184 15.0685
469 1FIQ MTE 0.00009376 0.41995 15.0685
470 3CEV ARG 0.01129 0.40955 15.7191
471 2DTJ THR 0.0001818 0.47887 16.2921
472 2PR5 FMN 0.0003004 0.44351 16.6667
473 1BTN I3P 0.00428 0.48266 16.9811
474 4F4S EFO 0.0006642 0.46787 17.1053
475 1NU4 MLA 0.006455 0.47422 18.5567
476 2E1A MSE 0.0003713 0.4723 18.6667
477 4G4S LDZ 0.00217 0.41673 19.1919
478 2FYU FDN 0.00008767 0.46263 19.2308
479 4DN8 BMA 0.03176 0.40329 19.2308
480 2QLX RM4 0.002212 0.46446 19.4444
481 2VKL MLT 0.006334 0.46514 20
482 4LO6 SIA GAL 0.0369 0.40776 20.5263
483 2GJ3 FAD 0.00005213 0.40181 20.8333
484 3CH5 GDP 0.003312 0.42249 22.2222
485 4D7M TDC 0.0001454 0.42508 25.3456
486 1Q3P GLU ALA GLN THR ARG LEU 0.00119 0.4307 28.4404
487 4BMO FMN 0.0001715 0.40247 30.2521
Pocket No.: 2; Query (leader) PDB : 2YPO; Ligand: PHE; 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: 2ypo.bio1) has 32 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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