Receptor
PDB id Resolution Class Description Source Keywords
1TUF 2.4 Å EC: 4.1.1.20 CRYSTAL STRUCTURE OF DIAMINOPIMELATE DECARBOXYLASE FROM M. JANNASCHI METHANOCALDOCOCCUS JANNASCHII ANTIBIOTIC RESISTANCE DIAMNOPIMILATE DECARBOXYLASE LYSINE BIOSYNTHESIS STRUCTURAL GENOMICS NYSGXRC T135 PSI PROTEIN STRUCTURE INITIATIVE NEW YORK SGX RESEARCH CENTER FOR STRUCTURAL GENOMICS LYASE
Ref.: COCRYSTAL STRUCTURES OF DIAMINOPIMELATE DECARBOXYLASE: MECHANISM, EVOLUTION, AND INHIBITION OF AN ANTIBIOTIC RESISTANCE ACCESSORY FACTOR STRUCTURE V. 10 1499 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AZ1 A:502;
B:503;
Valid;
Valid;
none;
none;
Ki = 89 uM
188.221 C9 H16 O4 C(CCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1TUF 2.4 Å EC: 4.1.1.20 CRYSTAL STRUCTURE OF DIAMINOPIMELATE DECARBOXYLASE FROM M. JANNASCHI METHANOCALDOCOCCUS JANNASCHII ANTIBIOTIC RESISTANCE DIAMNOPIMILATE DECARBOXYLASE LYSINE BIOSYNTHESIS STRUCTURAL GENOMICS NYSGXRC T135 PSI PROTEIN STRUCTURE INITIATIVE NEW YORK SGX RESEARCH CENTER FOR STRUCTURAL GENOMICS LYASE
Ref.: COCRYSTAL STRUCTURES OF DIAMINOPIMELATE DECARBOXYLASE: MECHANISM, EVOLUTION, AND INHIBITION OF AN ANTIBIOTIC RESISTANCE ACCESSORY FACTOR STRUCTURE V. 10 1499 2002
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1TUF Ki = 89 uM AZ1 C9 H16 O4 C(CCCC(=O)....
2 1TWI - PLP C8 H10 N O6 P Cc1c(c(c(c....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1TUF Ki = 89 uM AZ1 C9 H16 O4 C(CCCC(=O)....
2 1TWI - PLP C8 H10 N O6 P Cc1c(c(c(c....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1TUF Ki = 89 uM AZ1 C9 H16 O4 C(CCCC(=O)....
2 1TWI - PLP C8 H10 N O6 P Cc1c(c(c(c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: AZ1; Similar ligands found: 40
No: Ligand ECFP6 Tc MDL keys Tc
1 AZ1 1 1
2 PML 0.833333 0.95
3 11A 0.73913 0.64
4 KNA 0.73913 0.64
5 DCR 0.73913 0.64
6 12H 0.73913 0.782609
7 DKA 0.73913 0.64
8 DAO 0.73913 0.64
9 PLM 0.73913 0.64
10 F15 0.73913 0.64
11 TDA 0.73913 0.64
12 F23 0.73913 0.64
13 MYR 0.73913 0.64
14 STE 0.73913 0.64
15 0L1 0.722222 0.9
16 8AC 0.708333 0.607143
17 BRC 0.708333 0.695652
18 OCA 0.695652 0.64
19 011 0.666667 0.607143
20 SHV 0.652174 0.6
21 M12 0.607143 0.615385
22 KTC 0.586207 0.692308
23 SHO 0.565217 0.695652
24 GUA 0.55 0.85
25 MYZ 0.548387 0.64
26 ELA 0.53125 0.615385
27 VCA 0.53125 0.615385
28 PAM 0.53125 0.615385
29 NER 0.53125 0.615385
30 OLA 0.53125 0.615385
31 ODD 0.485714 0.653846
32 KAP 0.483871 0.6
33 EIC 0.459459 0.653846
34 ODT 0.447368 0.73913
35 16E 0.447368 0.666667
36 LNL 0.435897 0.708333
37 3LA 0.424242 0.62963
38 NPI 0.419355 0.642857
39 OOG 0.407407 0.772727
40 IKT 0.405405 0.678571
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1TUF; Ligand: AZ1; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1tuf.bio2) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1TUF; Ligand: AZ1; Similar sites found: 375
This union binding pocket(no: 2) in the query (biounit: 1tuf.bio2) has 27 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2CKM AA7 0.00239 0.40728 1.15207
2 2Q8H TF4 0.008946 0.44193 1.2285
3 1SQ5 ADP 0.006631 0.40338 1.2987
4 1SQ5 PAU 0.01657 0.40016 1.2987
5 4RJK PYR 0.003578 0.45429 1.38249
6 1Q3Q ANP 0.001473 0.42535 1.38249
7 3M6W SAM 0.00225 0.41272 1.38249
8 1C7S CBS 0.004263 0.41085 1.38249
9 2ZSC BTN 0.002308 0.41664 1.41844
10 1I2B NAD 0.002592 0.4168 1.48515
11 1I2B UPG 0.002592 0.4168 1.48515
12 1I2B USQ 0.002592 0.4168 1.48515
13 4IHQ ADP 0.005286 0.41635 1.6129
14 2VDJ HSE 0.00779 0.43767 1.66113
15 1KTC NGA 0.008485 0.41261 1.7284
16 3K3G MMU 0.008949 0.41412 1.76471
17 2Q8M AMP 0.004254 0.41088 1.80723
18 2OWZ CIT 0.0214 0.40483 1.80723
19 1SOW NAD 0.0004436 0.42035 1.82927
20 4WBD ADP 0.0003248 0.49627 1.84332
21 4WBD CIT 0.001428 0.4739 1.84332
22 4KCT PYR 0.006594 0.41238 1.84332
23 4DYO SD4 0.009255 0.40629 1.84332
24 4HZO COA 0.006495 0.41757 1.88679
25 4LIT AKG 0.002162 0.44392 1.9656
26 5EQU AKG 0.04348 0.40063 1.96721
27 3WCS MAN NAG 0.003312 0.43005 1.9685
28 3WCS MAN NAG GAL 0.00251 0.4246 1.9685
29 1SW0 PGA 0.007363 0.42258 2.01613
30 4C6F NCD 0.0001857 0.46984 2.03562
31 4C6F DOR 0.0001857 0.46984 2.03562
32 1D8C GLV 0.002285 0.44311 2.07373
33 4OYA 1VE 0.01234 0.4129 2.07373
34 4DQ2 BTX 0.0008894 0.40638 2.13415
35 4USS GSH 0.002743 0.43354 2.15385
36 4E28 0MZ 0.007016 0.42137 2.15385
37 4E28 9MZ 0.01188 0.41655 2.15385
38 3CQ5 PMP 0.0002065 0.47447 2.16802
39 2RCN GDP 0.002045 0.42816 2.23464
40 3K5X P8D 0.0002551 0.46433 2.25
41 2QCX PF1 0.00261 0.44032 2.28137
42 2P69 PLP 0.0009234 0.46019 2.28758
43 1Y42 TYR 0.008411 0.41278 2.29592
44 2W8Q SIN 0.007998 0.43048 2.30415
45 1WDA BAG 0.008067 0.40876 2.30415
46 1P72 THM 0.005816 0.41962 2.39521
47 2NLI LAC 0.001982 0.42395 2.44565
48 1NNS ASP 0.0007177 0.44636 2.45399
49 1T26 GBD 0.002457 0.4375 2.48447
50 1T26 NAI 0.002457 0.4375 2.48447
51 3LTW HLZ 0.02656 0.4005 2.5
52 3GJB AKG 0.001669 0.43703 2.50784
53 2IZ1 ATR 0.001702 0.45511 2.53456
54 1Z45 GAL 0.0009348 0.45346 2.53456
55 4O8A 2OP 0.00564 0.45221 2.53456
56 3BK2 U5P 0.0005464 0.44551 2.53456
57 2C31 ADP 0.008021 0.40885 2.53456
58 2C31 TZD 0.008322 0.40885 2.53456
59 2VD9 IN5 0.004934 0.4228 2.55754
60 2VD9 EPC 0.006197 0.41456 2.55754
61 3P3N AKG 0.002439 0.44797 2.5788
62 2WA4 069 0.001802 0.42539 2.5788
63 3AYS CT3 0.00701 0.40672 2.65957
64 1CKM GTP 0.009567 0.40569 2.72727
65 4NAO AKG 0.01091 0.42408 2.76074
66 2PP3 LGT 0.003882 0.40811 2.76382
67 2OKK ABU 0.01959 0.41788 2.76498
68 4AMV F6R 0.004438 0.40188 2.76498
69 1T3D CYS 0.002803 0.45204 2.76817
70 4USQ FAD 0.002172 0.40082 2.77008
71 2QLX RM4 0.008151 0.43009 2.77778
72 3ZUY TCH 0.008972 0.40242 2.78638
73 1X8X TYR 0.00145 0.43413 2.79503
74 4W6Z ETF 0.02048 0.42342 2.88184
75 1WRA PC 0.005232 0.43921 2.92208
76 3MAG 3MA 0.01705 0.43495 2.9316
77 4K7O EKZ 0.02375 0.40799 2.97619
78 4B9E FAH 0.006933 0.43342 2.99003
79 2ZWS PLM 0.002319 0.49207 2.99539
80 3ZGE ASP 0.006639 0.44109 2.99539
81 2Q28 ADP 0.002139 0.4017 2.99539
82 1DXY COI 0.0008676 0.49382 3.003
83 2VHJ ADP 0.0003434 0.42859 3.02115
84 2PUL ACP 0.0005216 0.43601 3.02267
85 3SCH TB6 0.01466 0.41238 3.0303
86 1WB4 SXX 0.02623 0.40925 3.0303
87 1ZZ7 S0H 0.01251 0.4054 3.0303
88 1GAD NAD 0.0009031 0.40305 3.0303
89 3GLC R5P 0.007891 0.42113 3.05085
90 2BZ1 TAU 0.001885 0.49711 3.06122
91 5D63 FUC GLA GLA 0.01315 0.41454 3.07167
92 1F1V DHY 0.001094 0.44461 3.09598
93 2XK9 XK9 0.002148 0.40098 3.10559
94 3P7I P7I 0.009812 0.40991 3.11526
95 1YOA FMN 0.004865 0.47403 3.14465
96 1YOA FAD 0.001403 0.40058 3.14465
97 2DVZ GLU 0.001845 0.42995 3.18471
98 1ZJ6 G3D 0.007988 0.40023 3.20856
99 1E5F PLP 0.0006385 0.43279 3.21782
100 3T1A 5MA 0.0009741 0.41733 3.22581
101 1Z42 HBA 0.04242 0.42491 3.25444
102 1C3V PDC 0.001125 0.4564 3.26531
103 2BO4 FLC 0.01487 0.41769 3.27456
104 3T2W BTN 0.007163 0.40635 3.27869
105 1UF5 CDT 0.005956 0.40956 3.30033
106 1YHM AHD 0.001933 0.44606 3.31492
107 2SFP PPI 0.008223 0.41255 3.35052
108 2XNJ FAD 0.01358 0.40869 3.38346
109 1XE7 GUN 0.02655 0.41759 3.44828
110 1UZ4 IFL 0.02324 0.41123 3.45622
111 3IB9 BTN 0.03045 0.40552 3.45622
112 2WGC SIA GAL BGC 0.01461 0.44717 3.50877
113 1WGC SIA GAL BGC 0.03708 0.41671 3.50877
114 1QR0 COA 0.009705 0.40105 3.50877
115 4M51 BEZ 0.005547 0.44493 3.51288
116 1FBL HTA 0.004473 0.41455 3.51351
117 2VAR KDF 0.00003387 0.49239 3.51438
118 2VAR AMP 0.002591 0.42404 3.51438
119 4JCA CIT 0.0247 0.42627 3.59281
120 1VQ2 DDN 0.0005071 0.4317 3.62694
121 2YPI PGA 0.004941 0.43542 3.64372
122 1I1Q TRP 0.01011 0.40469 3.64583
123 1H8P PC 0.02384 0.42 3.66972
124 3QV9 QV7 0.001502 0.45088 3.68664
125 1TFZ 869 0.0009942 0.41297 3.68664
126 1VJT NAD 0.0001783 0.40643 3.68664
127 3KV5 OGA 0.01737 0.4148 3.68852
128 1LNX URI 0.003606 0.42848 3.7037
129 3CH5 GDP 0.001642 0.42695 3.7037
130 3B0P FMN 0.00894 0.41087 3.71429
131 1DBT U5P 0.005234 0.41431 3.76569
132 3GM5 CIT 0.004323 0.43664 3.77358
133 3PLN U5P 0.00845 0.41269 3.77358
134 1JN2 SFP 0.01446 0.42913 3.79747
135 1A5V Y3 0.004743 0.42888 3.79747
136 3KYF 5GP 5GP 0.0001933 0.46914 3.8961
137 2Y7G AAE 0.001084 0.42435 3.90071
138 2ZJ5 ADP 0.004158 0.4314 3.91705
139 3QO8 SSA 0.002095 0.41386 3.91705
140 1ME8 RVP 0.009142 0.40288 3.91705
141 1PX8 XYP 0.02001 0.40123 3.91705
142 3UER BTU 0.007082 0.40227 3.96947
143 3UER TUR 0.007082 0.40227 3.96947
144 1QZZ SAM 0.003225 0.41115 4.01069
145 1X92 M7P 0.005165 0.40761 4.0201
146 1E7S NAP 0.0004771 0.41934 4.04984
147 2Z9V PXM 0.008755 0.41203 4.08163
148 3JQ3 ADP 0.0006482 0.44813 4.09836
149 4EXO PYR 0.003745 0.45332 4.10959
150 2FR6 CTN 0.001519 0.41062 4.10959
151 3PC3 P1T 0.0005589 0.41735 4.14747
152 1H8G CHT 0.01034 0.45564 4.21053
153 1LSS NAD 0.001311 0.40513 4.28571
154 1MQ0 BRD 0.004766 0.40474 4.28571
155 2Q3M MLA 0.001307 0.48472 4.29448
156 3L6R MLI 0.006062 0.43618 4.33526
157 1E4E ADP 0.0004736 0.42821 4.37318
158 4OB6 S2T 0.0005068 0.43646 4.39883
159 2JBH 5GP 0.001394 0.44026 4.44444
160 1RYI GOA 0.01077 0.45346 4.45026
161 3MD0 GDP 0.003458 0.42397 4.50704
162 1KDK DHT 0.001453 0.40009 4.51977
163 3EXS 5RP 0.003815 0.44099 4.52489
164 1P9B HDA 0.003608 0.43411 4.52489
165 1SC3 MLI 0.000009127 0.58161 4.54545
166 3PNA CMP 0.002194 0.43213 4.54545
167 1QS8 IVA VAL VAL STA ALA STA 0.00201 0.4064 4.55927
168 2YDW WSH 0.004906 0.41294 4.57516
169 4PQG NAG 0.005499 0.43781 4.60829
170 1T0S BML 0.01319 0.42639 4.60829
171 4GQB 0XU 0.002075 0.41854 4.60829
172 1GJW GLC 0.01775 0.41402 4.60829
173 5T4J PLP ABU 0.00106 0.42939 4.65753
174 4M5P MLA 0.008774 0.45046 4.6683
175 4M5P FMN 0.00007026 0.44704 4.6683
176 4M5P 23W 0.0234 0.41406 4.6683
177 1QO0 BMD 0.01135 0.41747 4.67532
178 1GPJ CIT 0.01687 0.40958 4.70297
179 4P4T GDP 0.00246 0.40335 4.72222
180 4IXW IXW 0.001002 0.44618 4.72441
181 2WUF KEM 0.0007805 0.40513 4.811
182 4LHM AZZ 0.0004847 0.47251 4.83871
183 1WNG SAH 0.002218 0.40117 4.90566
184 1CBF SAH 0.002349 0.41203 4.91228
185 1VFS DCS 0.009503 0.40283 4.92228
186 2OFD NGA 0.001073 0.46424 4.92958
187 2OFE NAG 0.008388 0.42348 4.92958
188 1XX4 BAM 0.00125 0.48571 4.98084
189 3R51 MMA 0.003103 0.4655 5
190 3NCQ ATP 0.0006618 0.41493 5.04202
191 1KC7 PPR 0.002429 0.45498 5.06912
192 4WVH ASP HIS ASP ALA HIS ALA 0.006897 0.41158 5.06912
193 4HA6 PXM 0.01185 0.41131 5.06912
194 4N7C AEF 0.003559 0.44713 5.11364
195 1FP2 SAH 0.002203 0.4174 5.11364
196 1FP2 HMO 0.002636 0.4102 5.11364
197 2F6U CIT 0.0111 0.42692 5.12821
198 3PXP MYR 0.003502 0.40174 5.13699
199 1QH9 LAC 0.008818 0.42249 5.17241
200 3DER ALA LYS 0.0008741 0.40719 5.21739
201 2NCD ADP 0.005851 0.42486 5.2381
202 1UGY GLA BGC 0.01116 0.40552 5.26316
203 4AKB GAL 0.02311 0.40131 5.26316
204 1A59 COA 0.0002303 0.43908 5.29101
205 1A59 CIT 0.01014 0.42558 5.29101
206 3GTD MLI 0.01075 0.41319 5.29954
207 3L24 GOA 0.04505 0.40563 5.29954
208 1RZM E4P 0.00211 0.45787 5.32544
209 1RZM PEP 0.008771 0.412 5.32544
210 1EDO NAP 0.00634 0.41135 5.32787
211 1ULE GLA GAL NAG 0.01246 0.42761 5.33333
212 1C1X HFA 0.01796 0.40379 5.35211
213 1DL7 NCH 0.007448 0.46364 5.35714
214 4G28 0W8 0.004357 0.41982 5.36913
215 3VPQ GSH 0.007509 0.42007 5.39216
216 2DWU DGL 0.004839 0.41794 5.43478
217 1RHC F42 ACN 0.00004817 0.41605 5.45455
218 2Q1A 2KT 0.008626 0.42293 5.46075
219 1Y1A GSH 0.002931 0.49442 5.46448
220 1FW1 GSH 0.0041 0.40721 5.55556
221 2WMO GTP 0.001635 0.42228 5.60748
222 2PT9 S4M 0.0003806 0.41297 5.60748
223 2EB5 OXL 0.02117 0.40504 5.61798
224 1G8S MET 0.01378 0.41361 5.65217
225 4JWX 1N4 0.0007677 0.4571 5.71429
226 4KGM ATP 0.003319 0.41508 5.71429
227 3D3W NAP 0.001339 0.40633 5.7377
228 1PR9 NAP 0.001687 0.4031 5.7377
229 2C7G FAD 0.002724 0.41683 5.76037
230 2C7G ODP 0.004385 0.40884 5.76037
231 4GYW UDP 0.001212 0.40639 5.76037
232 4AF5 CIT 0.004091 0.43773 5.78947
233 2VPR TDC 0.002381 0.41181 5.7971
234 2F2U M77 0.003305 0.41982 5.97015
235 1PTR PRB 0.02949 0.40349 6
236 3W54 RNB 0.0003294 0.44854 6.07903
237 1V35 NAI 0.0005815 0.42777 6.07903
238 3D2Y AH0 ALA FGA LYS 0.001252 0.41353 6.13027
239 2DTJ THR 0.001354 0.43533 6.17978
240 3SQG COM 0.01206 0.44304 6.2212
241 1UOU CMU 0.002373 0.41618 6.2212
242 4IVG ANP 0.005 0.4037 6.2212
243 3SQG TP7 0.004535 0.40154 6.2212
244 1HFA PIO 0.00003613 0.64134 6.22837
245 1A27 EST 0.0006204 0.43324 6.22837
246 1Y9Q MED 0.003524 0.44068 6.25
247 1MXI SAH 0.001618 0.40967 6.25
248 2YLD CMO 0.02412 0.40243 6.29921
249 3FPZ AHZ 0.0009882 0.44557 6.44172
250 4R3L COA 0.002859 0.40687 6.45161
251 1XOC VAL ASP SER LYS ASN THR SER SER TRP 0.003459 0.40091 6.45161
252 4COQ SAN 0.0009063 0.46758 6.47773
253 1B5E DCM 0.00233 0.43105 6.50407
254 1JGS SAL 0.00926 0.45832 6.52174
255 3F81 STT 0.008686 0.44259 6.55738
256 2XDQ MGX 0.003099 0.46553 6.68203
257 3CEV ARG 0.0003548 0.46477 6.68896
258 3DG6 MUC 0.000872 0.43259 6.81199
259 4F8L GAL 0.01906 0.44065 6.89655
260 1RYD GLC 0.02011 0.41266 6.91244
261 1YBH P22 0.009291 0.40181 6.91244
262 3RGG AIR 0.009839 0.40081 6.91824
263 2V5E SCR 0.02314 0.42781 6.93069
264 1M5W DXP 0.00558 0.44249 6.99588
265 3PMA SCR 0.006589 0.41731 7.33591
266 1Q3P GLU ALA GLN THR ARG LEU 0.007256 0.41066 7.33945
267 1IYE PGU 0.0003319 0.42292 7.44337
268 3UEC ALA ARG TPO LYS 0.00138 0.46658 7.53425
269 2PR5 FMN 0.001245 0.41363 7.57576
270 3SIX GDP 0.004016 0.41186 7.57576
271 1TH8 ADP 0.002599 0.42399 7.58621
272 1Y75 NAG 0.002688 0.42848 7.62712
273 1O68 KIV 0.007737 0.41433 7.63636
274 4U9W COA 0.0004895 0.43225 7.72947
275 3BY8 MLT 0.00261 0.4535 7.74648
276 3TFC PEP 0.003546 0.42879 7.79221
277 1VDC FAD 0.005658 0.4002 7.80781
278 1XIU REA 0.001878 0.4114 7.82609
279 3CF6 SP1 0.002353 0.412 7.8341
280 4F4S EFO 0.001609 0.44341 7.89474
281 3OVR 5SP 0.001227 0.41545 7.89474
282 2BOI MFU 0.001983 0.43955 7.9646
283 1NML CIT 0.006654 0.41712 7.97546
284 1EYQ NAR 0.002653 0.42872 8.10811
285 2XI7 XI7 0.002055 0.49501 8.15217
286 1ECM TSA 0.0009236 0.44764 8.25688
287 3LLZ GAL NGA 0.02607 0.40134 8.27068
288 2HMT NAI 0.005307 0.40115 8.33333
289 3RK0 AMP 0.007451 0.40141 8.43882
290 3S9K CIT 0.008599 0.4602 8.47458
291 2HVK TBA 0.02122 0.405 8.49057
292 4GO7 THR 0.007782 0.4049 8.5
293 3FXU TSU 0.0005682 0.40586 8.52459
294 1UW1 ADP 0.01382 0.40835 8.75
295 3Q9T FAY 0.0002754 0.43502 8.75576
296 2Y88 2ER 0.007558 0.40527 9.01639
297 1I7L ATP 0.001046 0.40115 9.06149
298 1Q11 TYE 0.0004538 0.46683 9.13978
299 1NF8 BOG 0.02735 0.40505 9.17874
300 4K30 NLG 0.0008785 0.45461 9.375
301 2DTX BMA 0.002512 0.40448 9.4697
302 1HYE NAP 0.001036 0.40128 9.58466
303 1S8F GDP 0.004985 0.404 9.60452
304 1V6A TRE 0.003201 0.43641 9.63855
305 2R5T ANP 0.001478 0.40342 9.65147
306 2ZJF BSU 0.003003 0.42148 9.66851
307 2YIV YIV 0.01043 0.43142 9.67742
308 4FGC PQ0 0.00586 0.42483 9.69697
309 3A1I UNU 0.001875 0.42967 9.90783
310 1I0Z OXM 0.0009935 0.49081 9.90991
311 1YRX FMN 0.005115 0.40358 9.91736
312 2JFV FLC 0.02381 0.40269 9.96564
313 1N9L FMN 0.00277 0.40155 10.0917
314 3MTW M3R 0.003038 0.40793 10.1737
315 2Y6P CTP 0.0003003 0.46149 10.2564
316 2O66 FLC 0.007559 0.41994 10.3704
317 9LDB OXM 0.01273 0.44178 10.5422
318 9LDT OXM 0.01967 0.43161 10.5422
319 1H16 DTL 0.03968 0.40851 10.5991
320 1H16 PYR 0.03934 0.40281 10.5991
321 4N02 FNR 0.005567 0.40369 10.6443
322 1KYV RBF 0.001843 0.4117 10.6918
323 2VQ5 LDP 0.002043 0.4748 10.9453
324 2VQ5 HBA 0.004429 0.44264 10.9453
325 4A6D SAM 0.0004623 0.42422 11.0482
326 3EW2 BTN 0.0006054 0.4552 11.1111
327 3SJ0 DXC 0.001586 0.46373 11.2676
328 3NNF AKG 0.01602 0.4106 11.3372
329 4CCN OGA 0.001641 0.45583 11.4286
330 1H2M OGA 0.002406 0.44825 11.5385
331 4NAE 1GP 0.0004092 0.49994 11.5556
332 1Y2W NAG 0.01269 0.41525 11.9718
333 2UZ2 BTN 0.002223 0.41291 12.3077
334 3LST SAH 0.002418 0.41588 12.6437
335 4P9Z NMI PTR 02K ASN NH2 0.003417 0.42947 12.8205
336 3RF4 FUN 0.005321 0.42127 12.931
337 3BHO B4P 0.003739 0.4703 12.9808
338 2X2T GAL NGA 0.003216 0.46471 13.0719
339 3TKA CTN 0.0009554 0.52291 13.2565
340 1BTN I3P 0.000211 0.55363 14.1509
341 1SS4 GSH 0.0003996 0.54277 14.3791
342 1SS4 CIT 0.00269 0.51789 14.3791
343 1H2K OGA 0.002403 0.44827 14.6341
344 1AX2 NDG GAL 0.003866 0.42719 14.6444
345 3QDY CBS 0.0002188 0.50438 14.6853
346 3QDW NDG 0.0002284 0.5035 14.6853
347 3QDW A2G 0.01438 0.43133 14.6853
348 3QDY A2G GAL 0.0113 0.42971 14.6853
349 3QDT A2G GAL 0.02586 0.4119 14.6853
350 1UO4 PIH 0.007971 0.4527 14.7059
351 1UO5 PIH 0.0126 0.45079 14.7059
352 1JH7 UVC 0.009512 0.41554 14.8148
353 1OGD RIP 0.005888 0.41939 15.2672
354 3WUD GLC GAL 0.005724 0.44426 15.4412
355 2Y7P SAL 0.01368 0.40373 15.5963
356 1C1L GAL BGC 0.01512 0.41735 16.7883
357 1T0I FMN 0.002927 0.40072 17.2775
358 3E81 SLB 0.009173 0.41623 17.6829
359 3EJ0 11X 0.01591 0.40324 18.3673
360 1TUV VK3 0.001323 0.48444 19.2982
361 3I6B KDO 0.0002061 0.48143 19.4444
362 4CCO OGA 0.001336 0.44686 20
363 2E1A MSE 0.009478 0.40586 20
364 3UWB BB2 0.01254 0.41548 20.1299
365 3NOJ PYR 0.00214 0.44107 20.1681
366 3N2O AG2 0.001739 0.46902 23.7327
367 3KJQ B94 0.00007203 0.47967 23.7805
368 2Y0I AKG 0.01723 0.4041 28.5714
369 2NVA PL2 0.000000001046 0.65368 34.4086
370 1NJJ ORX 0.000000003712 0.61864 35.2941
371 2OO0 PLP 0.00000001119 0.56432 35.7143
372 2PLK P3D 0.000000005395 0.61232 37.7088
373 1WHT BZS 0.0005832 0.4763 38.5621
374 3N29 NSD 0.0001421 0.51909 39.4737
375 1O9U ADZ 0.01134 0.43663 44.4444
Pocket No.: 3; Query (leader) PDB : 1TUF; Ligand: AZ1; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1tuf.bio1) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1TUF; Ligand: AZ1; Similar sites found: 15
This union binding pocket(no: 4) in the query (biounit: 1tuf.bio1) has 27 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5C2N NAG 0.02759 0.40739 None
2 3WQD PLP 999 0.004268 0.42188 2.05128
3 5B19 TLA 0.01428 0.41672 2.58621
4 5CSS G3P 0.006253 0.43498 2.65487
5 4V15 PLP 0.00359 0.43767 3.69393
6 5FAG PPI 0.01147 0.40245 4.39024
7 3QIN P1Y 0.01591 0.42303 4.66667
8 5EYW PGA 0.01463 0.41619 4.81928
9 3N9O OGA 0.02755 0.40185 4.83871
10 5LPB ADP 0.02033 0.40491 5.74324
11 4ZNO SUC 0.01161 0.42717 5.97015
12 4YMZ 13P 0.008385 0.4285 6.77291
13 5A5W GUO 0.001346 0.44137 7.90514
14 5TCI MLI 0.01044 0.42802 8.78049
15 5GJO PLP 0.000000001445 0.58382 45.1777
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