Receptor
PDB id Resolution Class Description Source Keywords
1ML4 1.8 Å EC: 2.1.3.2 THE PALA-LIGANDED ASPARTATE TRANSCARBAMOYLASE CATALYTIC SUBU PYROCOCCUS ABYSSI PYROCOCCUS ABYSSI BETA PLEATED SHEET PROTEIN INHIBITOR COMPLEX TRANSFERASE
Ref.: ASPARTATE TRANSCARBAMYLASE FROM THE HYPERTHERMOPHIL ARCHAEON PYROCOCCUS ABYSSI: THERMOSTABILITY AND 1.8 RESOLUTION CRYSTAL STRUCTURE OF THE CATALYTIC SUBUN COMPLEXED WITH THE BISUBSTRATE ANALOGUE N-PHOSPHONACETYL-L-ASPARTATE. J.MOL.BIOL.
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PAL A:385;
Valid;
none;
submit data
255.119 C6 H10 N O8 P C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1ML4 1.8 Å EC: 2.1.3.2 THE PALA-LIGANDED ASPARTATE TRANSCARBAMOYLASE CATALYTIC SUBU PYROCOCCUS ABYSSI PYROCOCCUS ABYSSI BETA PLEATED SHEET PROTEIN INHIBITOR COMPLEX TRANSFERASE
Ref.: ASPARTATE TRANSCARBAMYLASE FROM THE HYPERTHERMOPHIL ARCHAEON PYROCOCCUS ABYSSI: THERMOSTABILITY AND 1.8 RESOLUTION CRYSTAL STRUCTURE OF THE CATALYTIC SUBUN COMPLEXED WITH THE BISUBSTRATE ANALOGUE N-PHOSPHONACETYL-L-ASPARTATE. J.MOL.BIOL.
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1ML4 - PAL C6 H10 N O8 P C([C@@H](C....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1ML4 - PAL C6 H10 N O8 P C([C@@H](C....
2 1EKX - PAL C6 H10 N O8 P C([C@@H](C....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 5G1N Kd = 1.4 uM PAL C6 H10 N O8 P C([C@@H](C....
2 1ML4 - PAL C6 H10 N O8 P C([C@@H](C....
3 3R7F - CP C H4 N O5 P C(=O)(N)OP....
4 1EKX - PAL C6 H10 N O8 P C([C@@H](C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PAL; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 PAL 1 1
2 6PR 0.666667 0.911111
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1ML4; Ligand: PAL; Similar sites found: 265
This union binding pocket(no: 1) in the query (biounit: 1ml4.bio3) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1NU4 MLA 0.001262 0.44117 None
2 1JH7 UVC 0.008298 0.41739 None
3 2F01 BTN 0.008145 0.40692 None
4 1C1L GAL BGC 0.02498 0.40623 None
5 1YRX FMN 0.004258 0.40579 None
6 3GJB AKG 0.007816 0.40855 1.2987
7 3UEC ALA ARG TPO LYS 0.0333 0.40025 1.36986
8 2IMP NAI 0.0008566 0.44956 1.62338
9 3GTD MLI 0.004858 0.42762 1.62338
10 4W6Z ETF 0.01808 0.42548 1.62338
11 4KCF AKM 0.005506 0.40367 1.62338
12 4KCF FMN 0.002859 0.40196 1.62338
13 3M0J OAF 0.000782 0.41281 1.62866
14 3Q3C NAD 0.004258 0.40918 1.67224
15 1Y7P RIP 0.02143 0.41522 1.79372
16 3CL7 HYN 0.0002317 0.41971 1.94805
17 4PB2 5UD 0.0009316 0.41712 1.94805
18 4QDC ASD 0.0001584 0.40973 1.94805
19 4MWV BCZ 0.002031 0.40689 1.94805
20 1OMZ UD2 0.004953 0.40004 2.04778
21 2A0W DIH 0.0008418 0.41519 2.07612
22 3LTW HLZ 0.004451 0.43526 2.14286
23 1K7U NAG NAG 0.01001 0.40546 2.15054
24 3I51 45C 0.001603 0.42651 2.22222
25 3OIG NAD 0.0007132 0.44134 2.25564
26 3OIG IMJ 0.001472 0.40663 2.25564
27 4IVG ANP 0.00007564 0.4684 2.27273
28 2QS8 MET 0.00008413 0.44066 2.27273
29 9LDT OXM 0.01321 0.44017 2.27273
30 4CMF PXG 0.001014 0.42923 2.27273
31 1UOU CMU 0.003409 0.40943 2.27273
32 4G1V FAD 0.02273 0.40272 2.27273
33 2YLD CMO 0.0127 0.41449 2.3622
34 3IU9 T07 0.001921 0.42527 2.43056
35 2BGM NAJ 0.001095 0.43314 2.51799
36 3NOJ PYR 0.0003099 0.47647 2.52101
37 4C6F NCD 0.0006347 0.4476 2.5974
38 4C6F DOR 0.0006347 0.4476 2.5974
39 3ZPG 5GP 0.01122 0.43612 2.5974
40 3BRE C2E 0.006042 0.42921 2.5974
41 1A59 CIT 0.01532 0.41633 2.5974
42 4OE4 NAD 0.0006721 0.4142 2.5974
43 1SQ5 PAU 0.01231 0.40495 2.5974
44 1TV5 A26 0.001001 0.40442 2.5974
45 1TV5 ORO 0.003228 0.40414 2.5974
46 1SQ5 ADP 0.006184 0.40378 2.5974
47 4EXO PYR 0.03306 0.40588 2.73973
48 4NVP 7CH 0.0007049 0.41966 2.87081
49 3TO7 COA 0.0005513 0.42688 2.89855
50 3U1T MLI 0.007614 0.43072 2.92208
51 1RZM E4P 0.01279 0.42005 2.92208
52 1PEA ACM 0.0185 0.41839 2.92208
53 1KTC NGA 0.0102 0.40844 2.92208
54 2WA4 069 0.005819 0.4048 2.92208
55 1A8S PPI 0.0006643 0.44402 2.9304
56 1EP2 ORO 0.001245 0.41029 3.06513
57 1X1T NAD 0.00118 0.44065 3.07692
58 1JCM 137 0.00004862 0.41703 3.0888
59 4JWX 1N4 0.002194 0.43684 3.21429
60 1EYE PMM 0.003122 0.41529 3.21429
61 1Q6O LG6 0.0003557 0.44118 3.24074
62 1W3R PYR 0.01911 0.41769 3.24074
63 2YIV NBN 0.008993 0.42729 3.24675
64 3FSJ D7K 0.003052 0.4243 3.24675
65 2PP3 LGT 0.002422 0.41502 3.24675
66 3QTP 2PG 0.01048 0.40696 3.24675
67 4JP3 CIT 0.003781 0.41207 3.34728
68 3RO7 TDR 0.002148 0.44174 3.39623
69 3VHZ SOG 0.009655 0.40233 3.43511
70 2WGC SIA GAL BGC 0.04803 0.41714 3.50877
71 4M51 BEZ 0.000117 0.52626 3.57143
72 3EJ0 11X 0.0008893 0.45671 3.57143
73 1Y42 TYR 0.001326 0.44614 3.57143
74 2Z9V PXM 0.002395 0.43523 3.57143
75 2BLE 5GP 0.00153 0.42954 3.57143
76 4DYO SD4 0.003298 0.424 3.57143
77 1V5F FAD 0.02042 0.41776 3.57143
78 1V5F TPP 0.02042 0.41776 3.57143
79 1T10 F6P 0.008143 0.41775 3.57143
80 3F3E LEU 0.00121 0.41435 3.57143
81 4NAO AKG 0.02125 0.40957 3.57143
82 3TFC PEP 0.01008 0.40866 3.57143
83 2OWZ CIT 0.01878 0.40671 3.57143
84 2XD9 XD9 0.005496 0.43865 3.59281
85 2BNF UTP 0.0005459 0.42703 3.73444
86 3U7Y FLC 0.006864 0.47362 3.80952
87 4I9A NCN 0.00003916 0.45122 3.81944
88 2FWP ICR 0.0004394 0.4264 3.82514
89 2FWP CIT 0.001736 0.40166 3.82514
90 3IT7 TLA 0.01188 0.40279 3.84615
91 2P8B NSK 0.0009926 0.4589 3.8961
92 1T26 GBD 0.00156 0.44651 3.8961
93 1T26 NAI 0.00156 0.44651 3.8961
94 1H0C AOA 0.01481 0.41702 3.8961
95 2NZ2 CIR 0.0001079 0.4152 3.8961
96 2GWD GLU 0.005903 0.41359 3.8961
97 3L24 GOA 0.03136 0.41313 3.8961
98 3FPZ AHZ 0.008762 0.41214 3.8961
99 1LTH NAD 0.004648 0.40785 3.8961
100 4J7H TLO 0.001095 0.40684 3.8961
101 1XE7 GUN 0.02871 0.41511 3.94089
102 1QO0 BMD 0.005675 0.43045 4.08163
103 2JBZ COA 0.003722 0.40657 4.1958
104 3KMT SAH 0.002292 0.41592 4.20168
105 4N02 FNR 0.0001302 0.46217 4.22078
106 1YHM AHD 0.001908 0.44547 4.22078
107 2Q8H TF4 0.008162 0.44321 4.22078
108 2C5S AMP 0.002024 0.43273 4.22078
109 4HZO COA 0.004404 0.42397 4.22078
110 1GJW GLC 0.01623 0.41514 4.22078
111 4M5P 23W 0.03576 0.40418 4.22078
112 3K37 BCZ 0.01487 0.40254 4.22078
113 1ZFJ IMP 0.02459 0.40183 4.22078
114 3BY8 MLT 0.004546 0.4413 4.22535
115 1G6O ADP 0.004997 0.40829 4.24242
116 1WVC CTP 0.006891 0.41813 4.2471
117 2DWU DGL 0.01105 0.40233 4.34783
118 2ZO9 MLI 0.0002785 0.45886 4.37956
119 2ZX7 ZX7 0.00004765 0.45107 4.54545
120 4HZX G39 0.0001502 0.44695 4.54545
121 4LIT AKG 0.004632 0.42853 4.54545
122 2NLI LAC 0.001488 0.42344 4.54545
123 2NLI FMN 0.001488 0.42344 4.54545
124 1O7N IND 0.0009205 0.40559 4.54545
125 3DG6 MUC 0.004336 0.40549 4.54545
126 1E4E PHY 0.003475 0.40497 4.54545
127 1ECM TSA 0.007454 0.4094 4.58716
128 2ZI8 SDT 0.0006337 0.41277 4.66667
129 3H86 AP5 0.003304 0.40835 4.6875
130 1GU3 BGC BGC BGC BGC BGC 0.0116 0.40604 4.69799
131 4GLJ RHB 0.001979 0.40116 4.7138
132 1MVN PCO 0.00321 0.41622 4.78469
133 4RJK PYR 0.01076 0.42998 4.87013
134 3R51 MMA 0.0157 0.42863 4.87013
135 1A5Z OXM 0.01856 0.41832 4.87013
136 2VJJ RAM GLC GAL NAG NAG GLC 0.005493 0.4033 4.87013
137 3F81 STT 0.0368 0.40953 4.91803
138 2GJ3 FAD 0.0004317 0.42037 5
139 3CXO 1N5 0.00007233 0.44607 5.19481
140 1NVU GTP 0.0004459 0.44525 5.19481
141 3SQG COM 0.01496 0.43728 5.19481
142 1O9U ADZ 0.01071 0.43716 5.19481
143 2B7N NTM 0.003587 0.43342 5.49451
144 2XDQ MGX 0.01051 0.43759 5.51948
145 3QV9 QV7 0.003009 0.43677 5.51948
146 2VAR AMP 0.00661 0.40697 5.51948
147 2BZ1 TAU 0.01758 0.4419 5.61225
148 2EB5 OXL 0.01765 0.40794 5.61798
149 2HVK TBA 0.004558 0.43479 5.66038
150 3BHO B4P 0.003754 0.4694 5.76923
151 2X61 CH 0.0002956 0.43712 5.81395
152 2X61 NGA GAL SIA 0.007982 0.40256 5.81395
153 1F8F NAD 0.002082 0.42169 5.84416
154 1DXY COI 0.03337 0.41173 5.84416
155 1SS4 GSH 0.005482 0.47675 5.88235
156 4G28 0W8 0.009338 0.40536 5.88235
157 4LTN FMN 0.004606 0.40111 6.09137
158 1XX4 BAM 0.007975 0.44372 6.13027
159 4IMG NGF 0.001767 0.40367 6.14334
160 4MOB ADP 0.000009763 0.49499 6.16883
161 3K3G MMU 0.0006832 0.46165 6.16883
162 1RYI GOA 0.02213 0.43807 6.16883
163 4KCT PYR 0.003035 0.42549 6.16883
164 1LCP PLU 0.0003561 0.41572 6.16883
165 1PX8 XYP 0.01784 0.4027 6.16883
166 1JA9 PYQ 0.00002538 0.4572 6.20438
167 1JA9 NDP 0.00392 0.42034 6.20438
168 4N7C AEF 0.02302 0.40791 6.25
169 2VPR TDC 0.002217 0.41212 6.28019
170 2Q1A 2KT 0.01615 0.40971 6.48464
171 2Q09 DI6 0.0008061 0.44919 6.49351
172 4C0C WVH 0.001549 0.41821 6.49351
173 3QDK QDK 0.01441 0.41567 6.49351
174 1YOE RIB 0.0009568 0.40708 6.49351
175 1O6B ADP 0.001507 0.41862 6.50888
176 1G8S MET 0.008893 0.42155 6.52174
177 4M7F BM3 0.01472 0.40163 6.63717
178 2O66 FLC 0.009756 0.41429 6.66667
179 1Y75 NAG 0.002021 0.43276 6.77966
180 1I9G SAM 0.002755 0.4106 6.78571
181 2YYJ FAD 0.0005458 0.45804 7.14286
182 2YYJ 4HP 0.0005458 0.45804 7.14286
183 2C1Q BTN 0.0004345 0.43152 7.14286
184 2W8Q SIN 0.0002829 0.40358 7.14286
185 2Q37 3AL 0.01019 0.41345 7.18232
186 1BDB NAD 0.00443 0.41964 7.22022
187 4LO6 SIA GAL 0.001391 0.46949 7.36842
188 3KJQ B94 0.002095 0.42201 7.36842
189 1RM4 NDP 0.003074 0.41874 7.4184
190 2YP9 SIA CMO 0.001362 0.41767 7.46753
191 1NXJ TLA 0.00177 0.41356 7.65027
192 1NXJ GLV 0.008364 0.40734 7.65027
193 1H16 DTL 0.00182 0.47652 7.79221
194 1GSA ADP 0.00008832 0.46397 7.79221
195 1H16 PYR 0.009413 0.43285 7.79221
196 1LVL FAD 0.002663 0.40922 7.79221
197 4OB6 S2T 0.002991 0.40736 7.79221
198 1GSA GSH 0.003779 0.40211 7.79221
199 1SSQ CYS 0.003162 0.409 7.86517
200 2PNZ UDP 0.0001532 0.42714 8.03213
201 1Q3Q ANP 0.0002792 0.45415 8.11688
202 3JQ3 ADP 0.002129 0.42663 8.11688
203 4Q3S X7A 0.0001551 0.40921 8.11688
204 1LDM NAD 0.009475 0.40392 8.11688
205 4IU0 ABH 0.001114 0.40293 8.11688
206 4Q3R XA2 0.001006 0.40166 8.11688
207 2HMT NAI 0.005753 0.40135 8.33333
208 3QDT A2G GAL 0.0004063 0.49978 8.39161
209 3QDY A2G GAL 0.0005184 0.4946 8.39161
210 3QDY CBS 0.007198 0.43187 8.39161
211 4NTX AMR 0.0005365 0.46618 8.40336
212 2BO4 FLC 0.001273 0.46738 8.44156
213 2ZWS PLM 0.02282 0.43552 8.44156
214 1V6A TRE 0.01533 0.40562 8.44156
215 2OFE NAG 0.00229 0.44839 8.4507
216 1EYQ NAR 0.000512 0.4573 8.55856
217 1EDO NAP 0.001063 0.44095 8.60656
218 2DTX BMA 0.0009464 0.42021 8.71212
219 2IZ1 ATR 0.001986 0.45121 8.76623
220 1VQ2 DDN 0.0001647 0.46567 8.80829
221 1CKM GTP 0.002087 0.43219 9.09091
222 3VCA PRO 0.006122 0.42049 9.41558
223 3PC3 P1T 0.001409 0.40325 9.41558
224 4PNO U5P 0.004735 0.40405 9.72222
225 3CQ5 PMP 0.002403 0.42966 10.0649
226 1LYX PGA 0.002063 0.41764 10.0806
227 1OFH ADP 0.001025 0.4014 10.3448
228 1TUV VK3 0.004452 0.45667 10.5263
229 3MB5 SAM 0.0005782 0.43771 10.5882
230 2XBP ATP 0.00164 0.4188 10.6195
231 2E1A MSE 0.009561 0.40494 10.6667
232 3VKX T3 0.0003852 0.40046 10.728
233 1YBH FAD 0.001157 0.44821 11.039
234 1EXB NDP 0.002197 0.43078 11.039
235 4IAE 1DX 0.0007159 0.43402 11.1111
236 1QW9 KHP 0.0009715 0.40212 11.3636
237 2J5S KTA 0.0006646 0.4222 11.4068
238 4OYA 1VE 0.002476 0.44085 12.013
239 1GPJ CIT 0.01606 0.40982 12.013
240 4WBD ADP 0.008229 0.42912 12.3377
241 4WBD CIT 0.02231 0.41436 12.3377
242 3TKA CTN 0.009371 0.46154 12.6623
243 5E65 5N6 GAL 0.00004719 0.41207 13.8554
244 4DN8 BMA 0.001779 0.45338 14.1026
245 2BNE U5P 0.001466 0.40734 14.1079
246 1SC3 MLI 0.02562 0.41139 15.9091
247 2JE7 XMM 0.001104 0.40202 16.7364
248 1BTN I3P 0.0005199 0.53416 16.9811
249 1V1A ADP 0.0002771 0.4242 18.1818
250 2H6B 3C4 0.00476 0.40904 19.6
251 1Y2W NAG 0.02198 0.40357 19.7183
252 3CEV ARG 0.008819 0.40639 21.0702
253 3S9K CIT 0.0004406 0.5195 21.1864
254 4F8L GAL 0.001707 0.49868 24.8276
255 3L02 SN0 0.00000000000005718 0.62334 25
256 3L02 CP 0.00000003885 0.5665 25
257 1H8G CHT 0.04228 0.42031 25.2632
258 1T0S BML 0.007915 0.43655 25.5814
259 4JCA CIT 0.03381 0.41818 28.1437
260 3KPE TM3 0.006771 0.42696 30.7692
261 1DUV PSQ 0.000000004472 0.59992 42.2078
262 2I6U CP 0.00000000846 0.6266 45.6026
263 2I6U NVA 0.0001371 0.45897 45.6026
264 4A8T PAO 0.000000002213 0.64311 47.4026
265 4A8H PUW 0.000000001424 0.63429 47.4026
266 1OTH PAO 0.000000002526 0.61062 50
Pocket No.: 2; Query (leader) PDB : 1ML4; Ligand: PAL; Similar sites found: 168
This union binding pocket(no: 2) in the query (biounit: 1ml4.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3P7I P7I 0.0006015 0.45493 None
2 1UO4 PIH 0.03071 0.4159 None
3 2ALG HP6 0.001085 0.40426 None
4 2ALG DAO 0.001085 0.40426 None
5 4COQ SAN 0.01072 0.41297 1.61943
6 2F2U M77 0.001669 0.42538 1.62338
7 1RRC ADP 0.001205 0.40466 1.66113
8 1T8U UAP SGN IDS SGN 0.004896 0.40448 1.83824
9 3HZS M0E 0.001779 0.42344 1.91388
10 4QN7 G39 0.0009543 0.42628 1.94805
11 3I0O ADP 0.001827 0.42384 1.94805
12 1C0I FAD 0.007957 0.40349 1.94805
13 1C0I BE2 0.007957 0.40349 1.94805
14 3BW2 FMN 0.003355 0.40073 1.94805
15 3MTW M3R 0.003407 0.40005 1.94805
16 2HGZ PBF 0.0005228 0.42033 1.96078
17 1ULE GLA GAL NAG 0.005058 0.44099 2
18 1FS5 TLA 0.0001085 0.44778 2.25564
19 1Q0H FOM 0.001925 0.42614 2.27273
20 4AF0 MOA 0.0001602 0.40941 2.27273
21 1Q0H NDP 0.009329 0.40262 2.27273
22 1CR1 TTP 0.0103 0.41349 2.36486
23 2PJL 047 0.0002333 0.44579 2.42915
24 2Y7G AAE 0.003157 0.40123 2.48227
25 1FX8 BOG 0.001091 0.41336 2.4911
26 2IXB A2G 0.00144 0.4235 2.5974
27 1DLJ UGA 0.004651 0.4155 2.5974
28 1DLJ NAI 0.004774 0.41508 2.5974
29 1Q11 TYE 0.005632 0.41434 2.5974
30 1VDC FAD 0.006139 0.40936 2.5974
31 3FC2 IBI 0.002475 0.40528 2.5974
32 2IXB NAD 0.003251 0.40254 2.5974
33 1TV5 N8E 0.001999 0.40022 2.5974
34 2WL9 MBD 0.0001424 0.41353 2.62295
35 2QIA U20 0.0004737 0.45468 2.67176
36 3GD8 GOL 0.0006273 0.41769 2.69058
37 2YBQ UP2 0.005402 0.40081 2.73973
38 1FW1 GSH 0.001672 0.41561 2.77778
39 1R0X ATP 0.0009461 0.42383 2.7972
40 3VPD ANP 0.0007008 0.41046 2.84698
41 3CKZ ZMR 0.00009521 0.46942 2.92208
42 3P3N AKG 0.003468 0.43495 2.92208
43 1RZM PEP 0.00228 0.43076 2.92208
44 3NFZ 3NF 0.004942 0.40243 2.92208
45 3OCZ SRA 0.002545 0.40053 3.05344
46 1Z6K OAA 0.000139 0.40387 3.07167
47 2NTK IMP 0.007464 0.41854 3.15315
48 2Y7P SAL 0.004962 0.41664 3.21101
49 4AAW R84 0.003516 0.41832 3.24675
50 4B7J G39 0.002498 0.40909 3.24675
51 4R33 SAH 0.003415 0.40555 3.24675
52 4R33 TRP 0.003415 0.40555 3.24675
53 2YIV YIV 0.02758 0.40521 3.24675
54 2HVW DDN 0.0001569 0.41 3.26087
55 4B9E FAH 0.002857 0.44553 3.32226
56 3EM1 TYD 0.0007095 0.41502 3.42466
57 2FR6 URI 0.001662 0.40294 3.42466
58 2ZJ5 ADP 0.002118 0.43808 3.57143
59 1I2B USQ 0.0118 0.43029 3.57143
60 1I2B UPG 0.0118 0.43029 3.57143
61 1I2B NAD 0.0118 0.43029 3.57143
62 3MD0 GDP 0.005102 0.41108 3.57143
63 3CF6 SP1 0.001958 0.40868 3.57143
64 2NT8 ATP 0.002086 0.40643 3.58744
65 3FS8 ACO 0.002431 0.44158 3.663
66 3FS8 TDR 0.00464 0.42967 3.663
67 4IEN GDP 0.00004523 0.40876 3.68098
68 3EW2 BTN 0.009416 0.40029 3.7037
69 2WIC GNP 0.0002892 0.42799 3.74532
70 1UW1 ADP 0.01411 0.40241 3.75
71 1Z34 2FD 0.005729 0.41293 3.82979
72 2Y6P CTP 0.006638 0.40186 3.84615
73 2NZ2 ASP 0.0003603 0.46422 3.8961
74 1JQ5 NAD 0.0196 0.42242 3.8961
75 4N4J HG1 0.002393 0.41722 3.8961
76 1FA2 DOM 0.001024 0.41701 3.8961
77 1JSH SIA GAL 0.0001032 0.42749 3.97727
78 1M5B BN1 0.006183 0.41547 4.18251
79 4M5P MLA 0.02369 0.4219 4.22078
80 1WDA BAG 0.006472 0.40689 4.22078
81 3SUC ATP 0.00623 0.40073 4.22078
82 1YOA FMN 0.04678 0.41338 4.40252
83 1QJC PNS 0.0004085 0.45709 4.43038
84 1J2Z SOG 0.0018 0.40785 4.44444
85 2V5E SCR 0.004001 0.46273 4.5
86 1WRA PC 0.002795 0.44596 4.54545
87 4GYW UDP 0.0005235 0.43142 4.54545
88 4O1M NAD 0.002956 0.40263 4.54545
89 4HZD COA 0.004509 0.40247 4.60993
90 1V2X SAM 0.0009691 0.4024 4.63918
91 4TMK T5A 0.00107 0.46984 4.69484
92 1MVN FMN 0.0000746 0.46944 4.78469
93 3OZG SSI 0.0002817 0.40926 4.8
94 1TIW TFB 0.004618 0.40539 4.81728
95 1TIW FAD 0.004618 0.40539 4.81728
96 3W8S GSH 0.005191 0.42124 4.85437
97 4WVH ASP HIS ASP ALA HIS ALA 0.001007 0.43959 4.87013
98 4HA6 FAD 0.004454 0.41093 4.87013
99 3NKS FAD 0.006053 0.40013 4.87013
100 1B5E DCM 0.000933 0.44093 4.87805
101 1C3V NDP 0.003583 0.40108 4.89796
102 4K30 NLG 0.001417 0.42816 5
103 2NCD ADP 0.003732 0.42745 5.19481
104 1D3V ABH 0.0004304 0.42493 5.19481
105 3CXO 3LR 0.0011 0.41594 5.19481
106 3MAG 3MA 0.01789 0.42838 5.21173
107 1OGD RIP 0.0008422 0.44883 5.34351
108 1OAA OAA 0.004643 0.41027 5.40541
109 4IXW IXW 0.003937 0.41563 5.51181
110 2AEB ABH 0.0002041 0.44782 5.51948
111 1WL4 COA 0.003559 0.41448 5.51948
112 2TOH HBI 0.001016 0.41069 5.51948
113 2VAR KDF 0.003775 0.40688 5.51948
114 2P1O IHP 0.001582 0.41198 5.625
115 2P1O NLA 0.001582 0.41198 5.625
116 1G7V PAI 0.003894 0.40909 5.6338
117 1I0Z OXM 0.00394 0.45419 5.84416
118 4TSK NDP 0.01133 0.40549 5.84416
119 4LHM AZZ 0.0158 0.40028 5.84416
120 1F5F DHT 0.0007365 0.4193 5.85366
121 1SS4 CIT 0.02998 0.40378 5.88235
122 4LTN NAI 0.005437 0.41131 6.09137
123 3L6R MLI 0.007853 0.4251 6.16883
124 2BOI MFU 0.005277 0.41552 6.19469
125 1UQX MMA 0.0007917 0.41432 6.19469
126 3K9W 4PS 0.027 0.40726 6.41711
127 3K9W ADE 0.027 0.40726 6.41711
128 2P4T NAP 0.003196 0.4028 6.45161
129 3E81 SLB 0.01572 0.40037 6.70732
130 4PTZ FMN 0.001296 0.41075 6.80628
131 3FSY SCA 0.00186 0.41782 6.81818
132 1MXI SAH 0.001078 0.40932 6.875
133 4U36 TNR 0.0008607 0.4131 7.08333
134 4UBP HAE 0.0007084 0.4093 7.14286
135 1WKL ADP 0.0006553 0.41665 7.29927
136 1WKL ATP 0.001933 0.40072 7.29927
137 2VDJ HSE 0.001525 0.46615 7.30897
138 1R6D NAD 0.002838 0.42595 7.46753
139 1R6D DAU 0.009 0.40636 7.46753
140 3GM5 CIT 0.003951 0.43241 7.54717
141 4CO3 ATP 0.005035 0.40852 8.03571
142 1UXG NAD 0.005489 0.40271 8.44156
143 1UXG FUM 0.005489 0.40271 8.44156
144 2YDW WSH 0.007049 0.40083 8.44156
145 4M6T SAM 0.003057 0.41181 8.74317
146 1H6W SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 0.004164 0.41687 8.76623
147 4LKK SIA GAL 0.0001085 0.44313 9.09091
148 1W55 C 0.001679 0.43018 9.09091
149 2QCX PF1 0.003752 0.42734 9.09091
150 4C2G ALA ALA ALA ALA 0.004072 0.41504 9.09091
151 4CCO OGA 0.003322 0.42393 9.41558
152 4PLG OXM 0.004745 0.40391 9.41558
153 4PLG NAI 0.004745 0.40391 9.41558
154 1OD6 PNS 0.005397 0.4139 10
155 2Z5Y HRM 0.000009116 0.42069 10.3896
156 4GQB 0XU 0.003531 0.42159 10.7143
157 1YBH P22 0.00159 0.41329 11.039
158 2V5K OXM 0.0001093 0.40384 11.4983
159 3TA2 AKG 0.00006147 0.45881 11.8644
160 3NCQ ATP 0.0007371 0.40975 12.605
161 1QDS PGA 0.004621 0.40803 13.5458
162 2GSD NAD 0.003998 0.40431 14.2857
163 1RY2 AMP 0.001278 0.40904 15.2597
164 4Q3F TLA 0.00009681 0.40525 15.3846
165 2VBQ BSJ 0.003314 0.40601 15.7576
166 5DRN 5CT 0.0202 0.42184 16.6667
167 4EKV BTN 0.0004514 0.43506 16.9811
168 2VKL MLT 0.006968 0.45003 17.7778
Pocket No.: 3; Query (leader) PDB : 1ML4; Ligand: PAL; Similar sites found: 6
This union binding pocket(no: 3) in the query (biounit: 1ml4.bio2) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5T9F NAP 0.04731 0.40244 2.58303
2 3FUR Z12 0.04191 0.41225 2.94118
3 5BSH PRO 0.04075 0.40186 3.97112
4 1NVM NAD 0.02182 0.4173 4.87013
5 1J0X NAD 0.04739 0.40851 7.79221
6 4PPF FLC 0.0141 0.40436 8.11688
Feedback