Receptor
PDB id Resolution Class Description Source Keywords
2QES 1.24 Å EC: 3.2.2.22 CRYSTAL STRUCTURE OF THE RIBOSOME INACTIVATING PROTEIN PDL4 FROM P. DIOICA LEAVES IN COMPLEX WITH ADENINE PHYTOLACCA DIOICA CRYSTAL RIBOSOME INACTIVATING PROTEIN HYDROLASE
Ref.: ATOMIC RESOLUTION (1.1 A) STRUCTURE OF THE RIBOSOME-INACTIVATING PROTEIN PD-L4 FROM PHYTOLACCA DIOICA L. LEAVES PROTEINS V. 71 8 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ADE A:501;
Valid;
none;
submit data
135.127 C5 H5 N5 c1[nH...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2QES 1.24 Å EC: 3.2.2.22 CRYSTAL STRUCTURE OF THE RIBOSOME INACTIVATING PROTEIN PDL4 FROM P. DIOICA LEAVES IN COMPLEX WITH ADENINE PHYTOLACCA DIOICA CRYSTAL RIBOSOME INACTIVATING PROTEIN HYDROLASE
Ref.: ATOMIC RESOLUTION (1.1 A) STRUCTURE OF THE RIBOSOME-INACTIVATING PROTEIN PD-L4 FROM PHYTOLACCA DIOICA L. LEAVES PROTEINS V. 71 8 2008
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 families.
1 2QES - ADE C5 H5 N5 c1[nH]c2c(....
2 2QET - ADE C5 H5 N5 c1[nH]c2c(....
70% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 2QES - ADE C5 H5 N5 c1[nH]c2c(....
2 2QET - ADE C5 H5 N5 c1[nH]c2c(....
3 1J1R - ADE C5 H5 N5 c1[nH]c2c(....
4 1J1S - FMP C10 H14 N5 O7 P c1nc2c(c(n....
5 1D6A - GUN C5 H5 N5 O c1[nH]c2c(....
6 1QCJ - APT C14 H13 N6 O3 c1cc(ccc1C....
7 1QCI - ADE C5 H5 N5 c1[nH]c2c(....
8 3LE7 - ADE C5 H5 N5 c1[nH]c2c(....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 2QES - ADE C5 H5 N5 c1[nH]c2c(....
2 1LPD - ADE C5 H5 N5 c1[nH]c2c(....
3 1J1R - ADE C5 H5 N5 c1[nH]c2c(....
4 1QCJ - APT C14 H13 N6 O3 c1cc(ccc1C....
5 3HIT Ki = 6.4 nM DYN C30 H47 N10 O17 P3 CO[C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ADE; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 ADE 1 1
2 PM6 0.5 0.742857
3 ES4 0.463415 0.685714
4 6AP 0.428571 0.9375
5 XQG 0.422222 0.648649
6 M02 0.411765 0.630435
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2QES; Ligand: ADE; Similar sites found: 177
This union binding pocket(no: 1) in the query (biounit: 2qes.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2GTE VA 0.005445 0.44442 None
2 1ECM TSA 0.007395 0.42038 None
3 2Q16 ITT 0.03402 0.40374 None
4 1C9K 5GP 0.01628 0.40249 None
5 3JQM GTP 0.02136 0.40189 None
6 1BKC INN 0.007242 0.4216 0.78125
7 3LCV SAM 0.002664 0.46387 1.53257
8 5I39 FAD 0.0278 0.42137 1.53257
9 2C9E PID 0.02156 0.41555 1.53257
10 3RGA ILD 0.03153 0.41099 1.53257
11 5LJ0 6XX 0.03274 0.40798 1.53846
12 1VLH PNS 0.01943 0.41062 1.7341
13 5TTJ FAD 0.008606 0.45248 1.91571
14 3FUR Z12 0.01982 0.43016 1.91571
15 5L01 6Z4 0.02366 0.40663 1.91571
16 3EM1 TYD 0.01812 0.40105 2.05479
17 5DEY 59T 0.003392 0.48819 2.29885
18 4HA6 FAD 0.01346 0.44721 2.29885
19 4D42 NAP 0.04452 0.41167 2.29885
20 4D42 W0I 0.04452 0.41167 2.29885
21 2Y6Q FAD 0.04495 0.40606 2.29885
22 5APK 76E 0.03224 0.4024 2.29885
23 5DB3 58Q 0.0393 0.40011 2.29885
24 5NTW 98N 0.03552 0.40663 2.33463
25 1Q3A NGH 0.01194 0.40326 2.42424
26 1YMT DR9 0.0451 0.40303 2.43902
27 1QAN SAH 0.0247 0.40807 2.45902
28 1YP1 LYS ASN LEU 0.01035 0.40681 2.47525
29 1YP0 PEF 0.01883 0.41739 2.51046
30 1W2Y DUN 0.03767 0.40048 2.62009
31 4JNA FAD 0.01094 0.44977 2.64706
32 4ZOM 4Q3 0.03735 0.40284 2.66667
33 4C3Y FAD 0.005275 0.46756 2.68199
34 4C3Y ANB 0.006286 0.46756 2.68199
35 4DE9 VTP 0.01314 0.42992 2.68199
36 2Z3Y F2N 0.03037 0.42467 2.68199
37 2GCE SFC 0.03455 0.41769 2.68199
38 4RW3 PLM 0.01119 0.41623 2.68199
39 5BW4 SAM 0.02019 0.41045 2.68199
40 2LBD REA 0.02981 0.40553 2.68199
41 5HCV 60R 0.02958 0.40086 2.72374
42 3E8T UQ8 0.03219 0.43224 2.72727
43 1AWI PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO 0.01045 0.42252 2.89855
44 5BUK FAD 0.01354 0.44933 3.06513
45 4USQ FAD 0.01433 0.43727 3.06513
46 1V59 NAD 0.006058 0.43265 3.06513
47 5HGR 45D 0.0256 0.42368 3.06513
48 1RSG FAD 0.03658 0.41696 3.06513
49 1YY5 FAD 0.0463 0.40963 3.06513
50 3ZS7 ATP 0.02905 0.40179 3.06513
51 5JO1 6LM 0.03165 0.40092 3.06513
52 1YUC EPH 0.0299 0.41101 3.13725
53 1ZDU P3A 0.01973 0.41923 3.26531
54 5UNJ RJW 0.01909 0.40694 3.26531
55 4J3L AJ5 0.01317 0.41337 3.33333
56 2D5Z L35 0.03513 0.43704 3.42466
57 5IH1 6BQ 0.0114 0.45377 3.44828
58 5IH1 GDP 0.0114 0.45377 3.44828
59 4XB2 HSE 0.01811 0.42999 3.44828
60 5IKH 6BW 0.02749 0.41185 3.44828
61 1A27 NAP 0.04306 0.4025 3.44828
62 3DWB RDF 0.02219 0.4021 3.44828
63 2Y31 SMQ 0.04302 0.4012 3.44828
64 4LRJ ANP 0.02334 0.40055 3.5503
65 5JNN 6LM 0.03577 0.40226 3.68421
66 5ETR 5RW 0.000945 0.50119 3.72671
67 5ETR APC 0.000945 0.50119 3.72671
68 1D4D FAD 0.003539 0.48304 3.83142
69 3E1T FAD 0.01688 0.44321 3.83142
70 1XSE NDP 0.02337 0.42023 3.83142
71 5UKL SIX 0.02679 0.41721 3.83142
72 1M13 HYF 0.03859 0.40429 3.83142
73 3HST MLR 0.02368 0.40297 3.83142
74 1XKD NAP 0.04564 0.40103 3.83142
75 4IVG ANP 0.03521 0.40004 3.83142
76 5B4B LP5 0.03144 0.40981 4.03226
77 1WG8 SAM 0.009059 0.43254 4.21456
78 3ICS FAD 0.023 0.43036 4.21456
79 3ICR FAD 0.03078 0.42194 4.21456
80 5T67 SAH 0.03812 0.41076 4.21456
81 2RH1 CLR 0.0376 0.40043 4.21456
82 2QX0 APC 0.0006985 0.46753 4.40252
83 5UC9 MYR 0.002577 0.43788 4.42478
84 3LZW NAP 0.01695 0.45155 4.5977
85 3LZW FAD 0.009705 0.45155 4.5977
86 3NT6 FAD 0.01476 0.44494 4.5977
87 2VL8 UDP 0.01275 0.4172 4.5977
88 2VL8 CTS 0.01184 0.4172 4.5977
89 5K7K 6RJ 0.0283 0.41019 4.5977
90 1JNR FAD 0.01911 0.44508 4.66667
91 5G3N X28 0.01448 0.41784 4.72441
92 3NTD FAD 0.01106 0.45425 4.98084
93 5MZI FYK 0.02021 0.44615 4.98084
94 5MZI FAD 0.01973 0.44615 4.98084
95 3CGD NAD 0.03949 0.43517 4.98084
96 3CGD FAD 0.03949 0.43517 4.98084
97 3CGD COA 0.03949 0.43517 4.98084
98 5DEX 5E0 0.01314 0.4301 4.98084
99 3OTX AP5 0.04311 0.40559 4.98084
100 1ID0 ANP 0.01686 0.40675 5.26316
101 5C9J STE 0.003402 0.45244 5.36398
102 2CDU FAD 0.01645 0.43794 5.36398
103 1OKC CXT 0.01518 0.42209 5.36398
104 1HYH NAD 0.02215 0.41569 5.36398
105 3CQD ATP 0.04288 0.40695 5.36398
106 5K52 OCD 0.03261 0.40164 5.36398
107 3OH3 UAD 0.03897 0.4015 5.36398
108 1ZDT PEF 0.02224 0.42069 5.39419
109 1REO FAD 0.02054 0.43235 5.74713
110 3UCL FAD 0.04441 0.42717 5.74713
111 3UCL CYH 0.04441 0.42717 5.74713
112 3UCL NAP 0.04714 0.42717 5.74713
113 1NV8 MEQ 0.03314 0.40121 5.74713
114 1JQ9 PHE LEU SER TYR LYS 0.004997 0.45933 5.78512
115 1OYF MHN 0.01027 0.40351 5.78512
116 3KMT SAH 0.0331 0.41823 5.88235
117 5UWA 8ND 0.02438 0.4199 5.91133
118 4IKR PVP 0.02007 0.42063 6.13027
119 5UI2 EQ3 0.03264 0.41783 6.13027
120 1N4H REA 0.0304 0.40146 6.17761
121 5CSD ACD 0.01226 0.4401 6.28931
122 2DKH 3HB 0.02083 0.42847 6.51341
123 2P1C GG3 0.02763 0.41903 6.51341
124 3T58 FAD 0.02391 0.41483 6.51341
125 1FM9 9CR 0.02488 0.40715 6.72269
126 5LWY OLA 0.02224 0.40011 6.72269
127 4J36 1HR 0.03255 0.42449 6.89655
128 3GD4 FAD 0.03964 0.42313 6.89655
129 4J36 FAD 0.02512 0.42123 6.89655
130 5JHD GLY ILE LEU GLY PHE VAL PHE THR LEU 0.0297 0.42377 7.02479
131 2ZAT NAP 0.02983 0.41477 7.30769
132 3D72 FAD 0.04362 0.40786 7.38255
133 1HN4 MJI 0.004915 0.48689 7.63359
134 4II2 ATP 0.00437 0.44856 7.66284
135 1IN4 ADP 0.01312 0.41719 7.66284
136 4C9G CXT 0.01641 0.4138 7.66284
137 1ATL 0QI 0.01421 0.42091 8.41584
138 4K5S FAD 0.01458 0.43731 8.81226
139 4K5S PM0 0.02474 0.43731 8.81226
140 2RGO FAD 0.01517 0.4335 8.81226
141 3S2Y FMN 0.02012 0.40636 9.04523
142 4C2V YJA 0.03124 0.41401 9.09091
143 5FJN BE2 0.02654 0.43292 9.57854
144 5FJN FAD 0.02837 0.42882 9.57854
145 2QJY SMA 0.02228 0.40869 9.57854
146 2FP2 TSA 0.01884 0.40756 9.63855
147 4YSX FAD 0.02761 0.41933 9.92908
148 4D79 ATP 0.01173 0.42387 9.96169
149 4RDI ATP 0.02177 0.4069 9.96169
150 3G08 FEE 0.01092 0.45792 10.101
151 4CNG SAH 0.02517 0.41414 10.3448
152 3P0K FAD 0.03819 0.40166 10.3448
153 1N46 PFA 0.01691 0.42855 10.4651
154 5EPO NAP 0.02632 0.41176 10.728
155 2E5V FAD 0.0151 0.44585 11.1111
156 5EY0 GTP 0.0158 0.40347 11.1111
157 5SVV FMN 0.01425 0.42295 11.6788
158 1NTV ASN PHE ASP ASN PRO VAL TYR ARG LYS THR 0.01717 0.42002 11.8421
159 4TXI FAD 0.04748 0.40674 11.8774
160 4R38 RBF 0.02459 0.4103 12.1429
161 1K0E TRP 0.002908 0.43775 12.2605
162 3L9R L9R 0.03725 0.41343 13.2653
163 3CGB FAD 0.01817 0.43157 13.41
164 1R27 MGD 0.02552 0.4163 13.41
165 1TMM HHR 0.001339 0.4828 13.9241
166 1TMM APC 0.001538 0.48114 13.9241
167 2GAG FAD 0.01338 0.45142 14.9425
168 2GAG FOA 0.01338 0.45142 14.9425
169 2GAG NAD 0.02144 0.43081 14.9425
170 2VBU CDP 0.03694 0.41133 17.6471
171 2BVL UDP 0.008705 0.43486 22.2222
172 2BVL GLC 0.008705 0.43486 22.2222
173 3AD8 PYC 0.03104 0.44223 23.2323
174 3AD8 FAD 0.03104 0.44223 23.2323
175 3AD8 NAD 0.01601 0.4352 23.2323
176 2DYS TGL 0.03386 0.41338 42.8571
177 2DYR TGL 0.03576 0.41129 42.8571
Feedback