Receptor
PDB id Resolution Class Description Source Keywords
2NXW 1.5 Å EC: 4.1.1.43 CRYSTAL STRUCTURE OF PHENYLPYRUVATE DECARBOXYLASE OF AZOSPIR BRASILENSE AZOSPIRILLUM BRASILENSE THIAMINE PYROPHOSPHATE ASYMMETRIC DIMER OF DIMERS OPEN ACTLOOPS LYASE
Ref.: THE CRYSTAL STRUCTURE OF PHENYLPYRUVATE DECARBOXYLA AZOSPIRILLUM BRASILENSE AT 1.5 A RESOLUTION. IMPLIC FOR ITS CATALYTIC AND REGULATORY MECHANISM. FEBS J. V. 274 2363 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:4003;
B:4004;
Invalid;
Invalid;
none;
none;
submit data
35.453 Cl [Cl-]
GOL A:3002;
B:3001;
B:3003;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
MG A:4002;
B:4001;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
TPP A:2002;
B:2001;
Valid;
Valid;
none;
none;
submit data
425.314 C12 H19 N4 O7 P2 S Cc1c(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2NXW 1.5 Å EC: 4.1.1.43 CRYSTAL STRUCTURE OF PHENYLPYRUVATE DECARBOXYLASE OF AZOSPIR BRASILENSE AZOSPIRILLUM BRASILENSE THIAMINE PYROPHOSPHATE ASYMMETRIC DIMER OF DIMERS OPEN ACTLOOPS LYASE
Ref.: THE CRYSTAL STRUCTURE OF PHENYLPYRUVATE DECARBOXYLA AZOSPIRILLUM BRASILENSE AT 1.5 A RESOLUTION. IMPLIC FOR ITS CATALYTIC AND REGULATORY MECHANISM. FEBS J. V. 274 2363 2007
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2Q5Q - KPV C11 H12 O3 c1ccc(cc1)....
2 2NXW - TPP C12 H19 N4 O7 P2 S Cc1c(sc[n+....
3 2Q5O - PPY C9 H8 O3 c1ccc(cc1)....
4 2Q5L - R1T C15 H23 N3 O8 P2 S Cc1c(sc(c1....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2Q5Q - KPV C11 H12 O3 c1ccc(cc1)....
2 2NXW - TPP C12 H19 N4 O7 P2 S Cc1c(sc[n+....
3 2Q5O - PPY C9 H8 O3 c1ccc(cc1)....
4 2Q5L - R1T C15 H23 N3 O8 P2 S Cc1c(sc(c1....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2Q5Q - KPV C11 H12 O3 c1ccc(cc1)....
2 2NXW - TPP C12 H19 N4 O7 P2 S Cc1c(sc[n+....
3 2Q5O - PPY C9 H8 O3 c1ccc(cc1)....
4 2Q5L - R1T C15 H23 N3 O8 P2 S Cc1c(sc(c1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: TPP; Similar ligands found: 41
No: Ligand ECFP6 Tc MDL keys Tc
1 TPP 1 1
2 V4E 0.891892 1
3 TDP 0.84 0.985714
4 TPS 0.816901 0.957143
5 TMV 0.769231 0.958333
6 2TP 0.725 0.932432
7 VNP 0.721519 0.958904
8 VIB 0.621622 0.75
9 PYI 0.581395 0.887324
10 TDW 0.566667 0.972222
11 HTL 0.566667 0.958904
12 N1T 0.556818 0.985714
13 FTP 0.551724 0.835616
14 THV 0.548387 0.958904
15 TPW 0.546512 0.9
16 WWF 0.542553 0.933333
17 TD6 0.540816 0.921053
18 THY 0.536842 0.945946
19 TOG 0.536082 0.921053
20 TDL 0.53125 0.897436
21 THW 0.530612 0.958904
22 TD9 0.53 0.921053
23 TD8 0.53 0.921053
24 TDK 0.525773 0.921053
25 D7K 0.490566 0.909091
26 S1T 0.489362 0.887324
27 R1T 0.489362 0.887324
28 TPU 0.483146 0.842105
29 5SR 0.479167 0.945205
30 T5X 0.476636 0.897436
31 T6F 0.476636 0.897436
32 1U0 0.474227 0.84
33 8PA 0.459459 0.945946
34 TZD 0.451613 0.883117
35 O2T 0.45098 0.909091
36 TDM 0.443299 0.894737
37 TDN 0.415842 0.871795
38 THD 0.411765 0.839506
39 MP5 0.407895 0.676056
40 TD7 0.40566 0.85
41 DPX 0.4 0.734177
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2NXW; Ligand: TPP; Similar sites found: 328
This union binding pocket(no: 1) in the query (biounit: 2nxw.bio1) has 35 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UO5 PIH 0.0007852 0.52928 None
2 1ECM TSA 0.0006475 0.46498 None
3 2E1A MSE 0.006589 0.42199 None
4 1ITZ TPP 0.0006929 0.44835 1.23894
5 4IVG ANP 0.0006593 0.41239 1.23894
6 3A1I UNU 0.002285 0.43646 1.34357
7 3O2K DST 0.01028 0.41838 1.47679
8 3O2K QRP 0.009371 0.41105 1.47679
9 2RDT FMN 0.001738 0.40321 1.55039
10 1T26 NAI 0.003298 0.41434 1.5528
11 1T26 GBD 0.003298 0.41434 1.5528
12 4FWE FAD 0.0001431 0.42575 1.59292
13 4J7H TLO 0.001457 0.41412 1.69851
14 1WDA BAG 0.0004491 0.47175 1.76991
15 2YIC TPP 0.0006477 0.43612 1.76991
16 2RGH FAD 0.0001631 0.42061 1.76991
17 2V6O FAD 0.00137 0.4178 1.76991
18 3LTW HLZ 0.0007831 0.48133 1.78571
19 1H0C AOA 0.01973 0.42077 1.78571
20 2IXB A2G 0.0004002 0.4071 1.8018
21 2IXB NAD 0.0002741 0.40148 1.8018
22 2NVK NAP 0.003732 0.43778 1.84426
23 1YB5 NAP 0.0000762 0.41151 1.9943
24 1O9U ADZ 0.0009896 0.50162 2
25 2O4J VD4 0.001033 0.40218 2.05479
26 4E28 9MZ 0.0134 0.42333 2.15385
27 4E28 0MZ 0.01322 0.41838 2.15385
28 4KCT PYR 0.003335 0.43462 2.20441
29 4KCT FDP 0.009744 0.40623 2.20441
30 2FOI JPA 0.002009 0.43878 2.23048
31 3GTD MLI 0.002357 0.45247 2.28216
32 1EB9 HBA 0.004609 0.41934 2.29008
33 1Y42 TYR 0.004912 0.43252 2.29592
34 2R5N RP5 0.002043 0.40859 2.30088
35 2R5N TPP 0.002255 0.40575 2.30088
36 2R5N R5P 0.002333 0.40521 2.30088
37 2AE2 PTO 0.0003519 0.41106 2.30769
38 2AE2 NAP 0.0003519 0.41106 2.30769
39 3ZPG 5GP 0.0031 0.47557 2.35602
40 3DGB MUC 0.00436 0.42031 2.35602
41 2RL1 UD1 0.001447 0.40077 2.35849
42 2E2R 2OH 0.0002054 0.41001 2.45902
43 1G0N NDP 0.0004346 0.40608 2.4735
44 1I2B NAD 0.001918 0.40192 2.47525
45 1I2B UPG 0.001918 0.40192 2.47525
46 1I2B USQ 0.001918 0.40192 2.47525
47 2WW2 SWA 0.04377 0.40936 2.47788
48 1F3L SAH 0.001208 0.41327 2.49221
49 1OYB FMN 0.001102 0.4111 2.5
50 3P3N AKG 0.01263 0.42455 2.5788
51 2C42 PYR 0.0000002724 0.53531 2.65487
52 1NYT NAP 0.001083 0.4047 2.65487
53 2VDY HCY 0.003017 0.46843 2.68097
54 1GU3 BGC BGC BGC BGC BGC 0.01801 0.4076 2.68456
55 1SG4 CO8 0.0003049 0.41837 2.69231
56 1DLJ UGA 0.001321 0.40341 2.73632
57 2IZ1 ATR 0.004998 0.44352 2.74262
58 3NFZ 3NF 0.005922 0.41495 2.75229
59 4F8L GAL 0.003602 0.4913 2.75862
60 1F1V DHY 0.003369 0.43443 2.78638
61 2BII MTV 0.001256 0.40924 2.83019
62 2DT5 NAD 0.0002648 0.41025 2.8436
63 1W62 PYC 0.03583 0.40874 2.89855
64 1WGC SIA GAL BGC 0.03457 0.42696 2.92398
65 2QV7 ADP 0.015 0.40956 2.96736
66 2F2U M77 0.001414 0.44509 2.98507
67 2QA1 FAD 0.00001851 0.4405 3
68 2EB5 OXL 0.003136 0.45304 3.00885
69 1RP7 TZD 0.00112 0.4298 3.00885
70 1C0I FAD 0.00103 0.40287 3.0303
71 1C0I BE2 0.00103 0.40287 3.0303
72 1X1T NAD 0.004307 0.40082 3.07692
73 1VE3 SAM 0.001851 0.41799 3.0837
74 3M31 FAD 0.0004823 0.42285 3.09278
75 2BJK NAD 0.001343 0.40535 3.10078
76 1QO0 BMD 0.003707 0.44962 3.11688
77 1PEA ACM 0.01365 0.43481 3.11688
78 2WMO GTP 0.003232 0.42114 3.15789
79 1R37 NAD 0.00009459 0.41934 3.17003
80 1T10 F6P 0.02005 0.41011 3.18584
81 1QDS PGA 0.008846 0.41209 3.18725
82 4L7I SAM 0.001603 0.4243 3.1941
83 2R5T ANP 0.0009004 0.4213 3.21716
84 1E5F PLP 0.001389 0.43093 3.21782
85 4OB6 S2T 0.001071 0.43522 3.22581
86 4COQ SAN 0.003249 0.45231 3.23887
87 1K6M AGS 0.0004787 0.42676 3.24074
88 3I28 34N 0.0008806 0.40584 3.24324
89 1SQ5 ADP 0.002725 0.42853 3.24675
90 1SQ5 PAU 0.009955 0.41899 3.24675
91 1CKM GTP 0.001841 0.44563 3.33333
92 1ULE GLA GAL NAG 0.009388 0.44306 3.33333
93 2AQJ FAD 0.0004885 0.4232 3.34572
94 2AQJ TRP 0.0005123 0.42176 3.34572
95 1S8F GDP 0.0006801 0.40773 3.38983
96 2Q1A 2KT 0.00782 0.43437 3.41297
97 4M51 BEZ 0.003203 0.46668 3.51288
98 2Q2V NAD 0.0001539 0.41204 3.52941
99 1O0S NAI 0.0003628 0.42689 3.53982
100 4Q0A 4OA 0.000517 0.438 3.64238
101 1A8S PPI 0.007378 0.4132 3.663
102 1LNX URI 0.02635 0.40026 3.7037
103 3WE0 FAD 0.0001177 0.42822 3.71681
104 4WVH ASP HIS ASP ALA HIS ALA 0.005289 0.42607 3.75235
105 1Q11 TYE 0.004622 0.43368 3.76344
106 1XX4 BAM 0.00624 0.45959 3.83142
107 4CCO OGA 0.005815 0.42929 3.85439
108 2O1S TDP 0.0001504 0.50455 3.89381
109 3TFC PEP 0.006382 0.42751 3.8961
110 3LZW NAP 0.0006407 0.4188 3.91566
111 3LZW FAD 0.000301 0.4106 3.91566
112 4HA6 FAD 0.0003451 0.41467 3.93701
113 1XE7 GUN 0.02534 0.42742 3.94089
114 3MD0 GDP 0.001408 0.4506 3.94366
115 3P7I P7I 0.0007671 0.468 4.04984
116 2ZWS PLM 0.005715 0.47978 4.0708
117 3F3E LEU 0.0005404 0.40219 4.0708
118 2XDQ MGX 0.006103 0.46009 4.10959
119 1REO FAD 0.0001803 0.41815 4.11523
120 4AT0 FAD 0.001164 0.40322 4.11765
121 3OTH TYD 0.02321 0.40047 4.12621
122 1ZS6 ADP 0.006637 0.42186 4.14201
123 1QF5 GDP 0.00117 0.40315 4.17633
124 1QF5 RPL 0.00117 0.40315 4.17633
125 1FL2 FAD 0.0003362 0.41163 4.19355
126 1VDC FAD 0.0002811 0.42144 4.2042
127 1R9J TPP 0.0006114 0.45064 4.24779
128 1LSS NAD 0.003093 0.40288 4.28571
129 3ICC NAP 0.000186 0.40831 4.31373
130 2Z9V PXM 0.0008853 0.46526 4.33673
131 1GR0 NAD 0.0009781 0.42244 4.35967
132 3QV9 QV7 0.004522 0.43961 4.40882
133 2ZJF BSU 0.01393 0.40388 4.41989
134 2NCD ADP 0.002001 0.4557 4.42478
135 1TDF FAD 0.0000962 0.43411 4.43038
136 1TDF NAP 0.001138 0.41906 4.43038
137 2JBH 5GP 0.00326 0.43504 4.44444
138 1H82 FAD 0.0001552 0.4367 4.44915
139 1H82 GZZ 0.0007735 0.41787 4.44915
140 3KO8 NAD 0.0001927 0.40789 4.48718
141 3A2Y TS5 0.004123 0.40908 4.56853
142 1EP2 ORO 0.0002384 0.40822 4.5977
143 2QLX RM4 0.01781 0.42295 4.62963
144 1OAA OAA 0.0009554 0.40183 4.6332
145 2YVF NAD 0.001803 0.40731 4.65686
146 2YVF FAD 0.002715 0.40112 4.65686
147 1Y9Q MED 0.02422 0.41116 4.6875
148 1Q3Q ANP 0.001926 0.40187 4.74453
149 2PP3 LGT 0.006852 0.40835 4.77387
150 2ZJ5 ADP 0.004235 0.44091 4.77876
151 2VZ6 FEF 0.01964 0.41084 4.79233
152 1I0Z OXM 0.002422 0.4812 4.8048
153 1I0Z NAI 0.00006336 0.42799 4.8048
154 2C5S AMP 0.000181 0.48857 4.84262
155 5B48 TDN 0.0001884 0.48452 4.91803
156 3PLN U5P 0.004988 0.43223 4.95283
157 4PNI KQQ 0.0004408 0.42044 4.99109
158 1RRV TYD 0.01729 0.40661 5.04808
159 1Y75 NAG 0.0007968 0.46114 5.08475
160 4PLG NAI 0.0004249 0.40514 5.08982
161 4PLG OXM 0.0004249 0.40514 5.08982
162 1V6A TRE 0.002948 0.44806 5.12048
163 1ZK7 FAD 0.0004032 0.4148 5.13919
164 3DVA TPW 0.0001033 0.47503 5.14019
165 2NLI LAC 0.0008759 0.41544 5.16304
166 2NLI FMN 0.0009135 0.4133 5.16304
167 1SS4 GSH 0.00003613 0.61812 5.22876
168 1SS4 CIT 0.004044 0.48256 5.22876
169 1XVB BHL BHL 0.008514 0.4415 5.39846
170 3UEC ALA ARG TPO LYS 0.002255 0.46674 5.47945
171 3FC4 EDO 0.0002968 0.4255 5.48673
172 3Q9T FAY 0.0004076 0.40687 5.48673
173 2Y7P SAL 0.015 0.41112 5.50459
174 4IXW IXW 0.01023 0.41382 5.51181
175 3MAG 3MA 0.01032 0.456 5.53746
176 3MAG SAH 0.001818 0.41446 5.53746
177 3I51 45C 0.001705 0.43672 5.55556
178 4DYO SD4 0.007489 0.41961 5.56701
179 2Q1S NAI 0.0009629 0.40173 5.57029
180 3I0O ADP 0.007541 0.41497 5.60472
181 3I0O SMI 0.01725 0.4131 5.60472
182 1G8S MET 0.001914 0.46311 5.65217
183 1YRO UDP 0.0213 0.40892 5.69106
184 4Q3S X7A 0.001072 0.40017 5.71429
185 1T0S BML 0.0009013 0.49449 5.81395
186 1C1L GAL BGC 0.02569 0.41514 5.83942
187 1KYQ NAD 0.004854 0.40285 5.83942
188 1QZZ SAM 0.0004699 0.45389 5.88235
189 3KMT SAH 0.001103 0.4394 5.88235
190 1H65 GDP 0.003607 0.40058 5.92593
191 1SGJ OAA 0.01349 0.41482 5.98592
192 2Q09 DI6 0.001991 0.44418 6.00962
193 4OYA 1VE 0.0009696 0.43388 6.0177
194 3SHR CMP 0.003475 0.42892 6.02007
195 4W6Z 8ID 0.0002222 0.41177 6.05187
196 3H9E NAD 0.0006718 0.40789 6.06936
197 2QCX PF1 0.001989 0.45582 6.08365
198 1M5B BN1 0.0002415 0.43086 6.08365
199 1W85 TDP 0.0000558 0.50373 6.12245
200 1HDR NAD 0.0003856 0.41836 6.14754
201 1QD0 RR6 0.005577 0.41601 6.25
202 1U5R ATP 0.0171 0.4036 6.32184
203 3CF6 SP1 0.001352 0.43137 6.58683
204 2Y6P CTP 0.002659 0.43374 6.83761
205 1IIM TTP 0.0000325 0.40996 6.84932
206 3OCZ SRA 0.001962 0.42104 6.87023
207 2JFV FLC 0.005179 0.44279 6.87285
208 4KOA NDP 0.001925 0.42135 6.90691
209 1SJW NGV 0.006077 0.40651 6.94444
210 3I8P 840 0.0001084 0.47307 7.02576
211 3BY8 MLT 0.002136 0.46789 7.04225
212 2OFE NAG 0.02849 0.40781 7.04225
213 2Y7G AAE 0.003115 0.41758 7.0922
214 1R6D NAD 0.0002608 0.42719 7.12166
215 1KTC NGA 0.001359 0.45708 7.16049
216 1FWY UD1 0.0003594 0.40048 7.25076
217 1GJW GLC 0.002903 0.4614 7.25664
218 4B9E FAH 0.001839 0.47105 7.30897
219 3JQ3 ADP 0.003139 0.43075 7.37705
220 1RZM E4P 0.005978 0.44612 7.39645
221 1RZM PEP 0.01654 0.40924 7.39645
222 2RHW C0E 0.002453 0.40319 7.42049
223 3T31 FAD 0.0001147 0.43886 7.55149
224 3T31 DCQ 0.0001318 0.43886 7.55149
225 4C6F NCD 0.005772 0.41978 7.63359
226 4C6F DOR 0.005772 0.41978 7.63359
227 4LHM AZZ 0.008141 0.42799 7.72727
228 3F8C HT1 0.01229 0.41983 7.93651
229 1ZJ6 G3D 0.001877 0.43504 8.02139
230 1SJD NPG 0.001828 0.40069 8.15217
231 3TN7 NJP 0.00005276 0.42076 8.17121
232 2BH9 NAP 0.006138 0.40635 8.17996
233 1EJE FMN 0.001341 0.42304 8.33333
234 4M5P MLA 0.005471 0.47116 8.35381
235 4M5P 23W 0.03177 0.4161 8.35381
236 3PVT 3HC 0.0006429 0.40007 8.36013
237 3NOJ PYR 0.03498 0.4227 8.40336
238 4N02 FNR 0.0003623 0.42199 8.40336
239 3NCQ ATP 0.009833 0.40536 8.40336
240 1BTN I3P 0.001004 0.52862 8.49057
241 1D6H COA 0.0007947 0.40415 8.52713
242 4JWX 1N4 0.003303 0.44011 8.57143
243 4O1M NAD 0.0002427 0.40067 8.57143
244 2Q8H TF4 0.0004413 0.52004 8.59951
245 3RF4 FUN 0.005195 0.43145 8.62069
246 2EJU SAH 0.003839 0.40654 8.73016
247 1LVL FAD 0.0003246 0.41544 8.73362
248 3AI7 TPP 0.0001051 0.43167 8.84956
249 4IMG NGF 0.0008459 0.42616 8.87372
250 2V5E SCR 0.0002021 0.54968 8.91089
251 3DER ALA LYS 0.0007313 0.4244 8.98551
252 3DG6 MUC 0.0002683 0.4634 8.99183
253 1N9L FMN 0.0008903 0.42947 9.17431
254 2RHQ GAX 0.000193 0.43998 9.18367
255 3NGU ADP 0.002239 0.42738 9.27152
256 1P1M MET 0.002573 0.40227 9.35961
257 3KJQ B94 0.005114 0.41752 9.7561
258 2X1E X1E 0.04962 0.40309 9.80392
259 3F81 STT 0.001887 0.4869 9.83607
260 1UMD TDP COI 0.00006364 0.44011 10.0817
261 1B4P GPS 0.00525 0.40162 10.1382
262 3S9K CIT 0.009766 0.48001 10.1695
263 2FH5 GTP 0.0009717 0.42404 10.2703
264 3K37 BCZ 0.003259 0.40704 10.3275
265 3D2Y AH0 ALA FGA LYS 0.000462 0.43976 10.3448
266 2Q37 3AL 0.001791 0.45789 10.4972
267 4F4S EFO 0.0008137 0.46687 10.5263
268 1UF5 CDT 0.00158 0.44309 10.5611
269 3BHO B4P 0.02244 0.43739 10.5769
270 4OHB 5HM 0.007678 0.40263 11.0526
271 2C2A ADP 0.004134 0.40904 11.2403
272 4K30 NLG 0.0002886 0.48666 11.25
273 1W7J ADP BEF 0.003388 0.41225 11.2583
274 2PR5 FMN 0.00159 0.42038 11.3636
275 2HYR BGC GLC 0.04077 0.41384 11.4754
276 2GUD MAN 0.04383 0.41005 11.4754
277 2GUC MAN 0.04654 0.40695 11.4754
278 2D2I NAP 0.001469 0.40373 11.5789
279 3EXH TPP 0.0000674 0.50014 11.7801
280 1EYE PMM 0.001138 0.44378 11.7857
281 1MXI SAH 0.002466 0.41349 11.875
282 2IYG FMN 0.006923 0.41222 12.0968
283 1Z44 FMN 0.0001508 0.47319 12.1302
284 1Z44 NPO 0.01182 0.46162 12.1302
285 1Z41 FMN 0.0005758 0.44548 12.1302
286 1YRX FMN 0.006907 0.40821 12.3967
287 3QDY A2G GAL 0.0002725 0.52071 12.5874
288 3QDT A2G GAL 0.005633 0.45429 12.5874
289 3QDY CBS 0.009672 0.43593 12.5874
290 2OZL TPP 0.0001108 0.41631 12.6027
291 4PTZ FMN 0.006318 0.4022 13.089
292 2WGC SIA GAL BGC 0.005806 0.47939 13.4503
293 2VBQ BSJ 0.0003717 0.40287 13.9394
294 2X7J TPP 0.00000011 0.59587 14.6903
295 2FR6 URI 0.0002343 0.45041 15.0685
296 2FR6 CTN 0.002063 0.41629 15.0685
297 2O66 FLC 0.007154 0.44923 15.5556
298 1UPA TPP 0.0000000006282 0.68708 19.7208
299 2IHT TPP 0.000000001527 0.59295 19.7208
300 1MZV AMP 0.005542 0.42052 20
301 3KPE TM3 0.01365 0.42296 21.5686
302 2FYU FDN 0.003528 0.40787 23.2143
303 4L50 D8X 0.02072 0.40968 25.5639
304 1YOA FMN 0.005707 0.47982 34.5912
305 3EYA TDP 0.00000000005552 0.64153 37.7049
306 2C31 ADP 0.000008003 0.53582 37.8521
307 2C31 TZD 0.000008386 0.53582 37.8521
308 1T9D PYD 0.000000004593 0.73997 38.0531
309 1T9D P22 0.0002613 0.55669 38.0531
310 1T9D P25 0.0000000005273 0.43227 38.0531
311 3IAE D7K 0.0000000002972 0.66406 38.2301
312 1V5F TPP 0.0000004559 0.56472 38.2301
313 1V5F FAD 0.00001476 0.51981 38.2301
314 2UZ1 TPP 0.00000000008253 0.72291 38.3659
315 2Q28 TPP 0.0003539 0.45328 38.4752
316 2Q28 ADP 0.004333 0.40116 38.4752
317 1YBH P22 0.00000002317 0.71583 38.5841
318 1YBH FAD 0.00249 0.41527 38.5841
319 4RJK TPP 0.00000000001661 0.73425 39.115
320 4RJK TDL 0.000000000008623 0.72922 39.115
321 4RJK PYR 0.0006187 0.50274 39.115
322 2IHU TP9 0.0000000004182 0.62425 39.6161
323 3FSJ D7K 0.000008509 0.4936 40.5303
324 2VK4 TPP 0.00000000008818 0.63649 41.9183
325 1QPB TPP 0.000000000000002554 0.6778 42.0959
326 1QPB PYM 0.00000000000001266 0.66047 42.0959
327 1ZPD DPX 0.0000000000613 0.66374 44.4248
328 2VBF TPP 0.00000000008789 0.65743 44.6018
Pocket No.: 2; Query (leader) PDB : 2NXW; Ligand: TPP; 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: 2nxw.bio1) has 35 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2NXW; Ligand: TPP; Similar sites found: 9
This union binding pocket(no: 3) in the query (biounit: 2nxw.bio2) has 35 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2C42 TPP 0.0000002724 0.53531 2.65487
2 5EOO CIT 0.03283 0.40881 3.77358
3 5M0T AKG 0.04317 0.40668 5.78231
4 5EXE 5SR 0.00000004846 0.56663 12.9114
5 5ESO TDP 0.00000008758 0.57071 16.6372
6 5ESO ISC 0.00000008758 0.57071 16.6372
7 1T9D FAD 0.000000000575 0.43188 38.0531
8 1T9D 1MM 0.0000000006096 0.42892 38.0531
9 1OZH HE3 0.000000002455 0.66324 38.9381
Pocket No.: 4; Query (leader) PDB : 2NXW; Ligand: TPP; 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: 2nxw.bio2) has 35 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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