Receptor
PDB id Resolution Class Description Source Keywords
4PU6 2.3 Å EC: 3.5.1.1 CRYSTAL STRUCTURE OF POTASSIUM-DEPENDENT PLANT-TYPE L-ASPARA FROM PHASEOLUS VULGARIS IN COMPLEX WITH K+ CATIONS PHASEOLUS VULGARIS METAL BINDING SITES POTASSIUM COORDINATION K-DEPENDENT ENZHYDROLASE PLANT PROTEIN L-ASPARAGINASE ISOASPARTYL AMINOPEPTIDASE AMIDOHYDROLASE HYDROLASE
Ref.: NA+/K+ EXCHANGE SWITCHES THE CATALYTIC APPARATUS OF POTASSIUM-DEPENDENT PLANT L-ASPARAGINASE ACTA CRYSTALLOGR.,SECT.D V. 70 1854 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
K C:202;
C:201;
A:201;
A:202;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
39.098 K [K+]
ASP B:501;
Valid;
none;
submit data
133.103 C4 H7 N O4 C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4PU6 2.3 Å EC: 3.5.1.1 CRYSTAL STRUCTURE OF POTASSIUM-DEPENDENT PLANT-TYPE L-ASPARA FROM PHASEOLUS VULGARIS IN COMPLEX WITH K+ CATIONS PHASEOLUS VULGARIS METAL BINDING SITES POTASSIUM COORDINATION K-DEPENDENT ENZHYDROLASE PLANT PROTEIN L-ASPARAGINASE ISOASPARTYL AMINOPEPTIDASE AMIDOHYDROLASE HYDROLASE
Ref.: NA+/K+ EXCHANGE SWITCHES THE CATALYTIC APPARATUS OF POTASSIUM-DEPENDENT PLANT L-ASPARAGINASE ACTA CRYSTALLOGR.,SECT.D V. 70 1854 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 4PU6 - ASP C4 H7 N O4 C([C@@H](C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 4PU6 - ASP C4 H7 N O4 C([C@@H](C....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4PU6 - ASP C4 H7 N O4 C([C@@H](C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ASP; Similar ligands found: 32
No: Ligand ECFP6 Tc MDL keys Tc
1 ASP 1 1
2 DAS 1 1
3 ASN 0.636364 0.793103
4 SER 0.545455 0.714286
5 DBB 0.545455 0.692308
6 2RA 0.545455 0.689655
7 ABA 0.545455 0.692308
8 DSN 0.545455 0.714286
9 DCY 0.521739 0.703704
10 CYS 0.521739 0.703704
11 C2N 0.521739 0.666667
12 SD4 0.5 0.648649
13 DGL 0.481481 0.846154
14 GLU 0.481481 0.846154
15 GGL 0.481481 0.846154
16 DAB 0.48 0.612903
17 HSE 0.48 0.758621
18 LEU 0.461538 0.642857
19 AS2 0.461538 0.916667
20 HCS 0.461538 0.655172
21 CSO 0.461538 0.6875
22 NVA 0.461538 0.62069
23 API 0.461538 0.75
24 CSS 0.444444 0.633333
25 CSD 0.444444 0.615385
26 11C 0.433333 0.814815
27 UN1 0.433333 0.814815
28 GLN 0.428571 0.7
29 DGN 0.428571 0.7
30 NPI 0.40625 0.785714
31 NCD 0.4 0.705882
32 ONL 0.4 0.7
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4PU6; Ligand: ASP; Similar sites found: 121
This union binding pocket(no: 1) in the query (biounit: 4pu6.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3E5H GNP 0.009531 0.43036 None
2 1KMQ GNP 0.01458 0.41765 1.63043
3 3ZFD ANP 0.003728 0.4363 3.04569
4 4UP3 FAD 0.04322 0.41201 3.04569
5 1VG8 GNP 0.01528 0.42108 3.05344
6 1OIX GDP 0.02993 0.4043 3.14136
7 3RAB GNP 0.008535 0.43287 3.5503
8 1VQW FAD 0.03553 0.41002 3.5533
9 1OYB FMN 0.02767 0.40466 3.75
10 4U5X GNP 0.007009 0.42877 3.81679
11 3RSC TYD 0.01391 0.41708 3.81679
12 2DX7 CIT 0.009442 0.41611 3.81679
13 4YC7 GNP 0.01501 0.41537 3.81679
14 3IAA TYD 0.01979 0.40749 3.81679
15 1NF3 GNP 0.0217 0.41019 3.90625
16 4BV6 FAD 0.03744 0.41635 4.06091
17 3N7O N7O 0.02559 0.40927 4.06091
18 2BME GNP 0.007599 0.4355 4.30108
19 1Z0K GTP 0.005027 0.44158 4.65116
20 1GET FAD 0.04969 0.42427 5.07614
21 1QXA GLY GLY GLY 0.009093 0.41475 5.07614
22 3OIX FMN 0.01784 0.41463 5.07614
23 4CNK FAD 0.04288 0.41306 5.07614
24 2W83 GTP 0.0118 0.42242 5.34351
25 1YZQ GNP 0.01503 0.42145 5.34351
26 4C4P GNP 0.01994 0.415 5.34351
27 1UAD GNP 0.0206 0.41284 5.34351
28 1TAD GDP 0.03083 0.40759 5.58376
29 3S43 478 0.03105 0.40865 6.06061
30 4H4D 10E 0.00858 0.41819 6.09137
31 5I0H ADP BEF 0.01226 0.41819 6.10687
32 2A5F GTP 0.018 0.41444 6.10687
33 1OJ7 NZQ 0.04131 0.40747 6.10687
34 1M2O GNP 0.01733 0.4153 6.31579
35 2B4G FMN 0.01208 0.42785 6.59898
36 2WMO GTP 0.01516 0.4058 6.59898
37 2Z48 NGA 0.003014 0.428 6.87023
38 2Z48 A2G 0.003173 0.42556 6.87023
39 4C3Y FAD 0.04557 0.41158 6.87023
40 4KVG GTP 0.02292 0.4104 6.87023
41 2NX1 RP5 0.04228 0.40024 6.87023
42 1IBR GNP 0.008324 0.43493 7.63359
43 3VP6 HLD 0.01893 0.41477 7.63359
44 2NLI LAC 0.0284 0.40949 7.63359
45 2NLI FMN 0.02269 0.40917 7.63359
46 2C77 GNP 0.01325 0.41645 8.12183
47 2C78 GNP 0.0158 0.41421 8.12183
48 4JK3 NAD 0.02963 0.40974 8.12183
49 2XTZ GSP 0.02485 0.40855 8.12183
50 1RYH GNP 0.01898 0.40088 8.12183
51 1EK0 GNP 0.01231 0.42455 8.39695
52 4K81 GTP 0.02124 0.41355 8.39695
53 1WF3 GNP 0.02381 0.41093 8.39695
54 2C5L GTP 0.02731 0.40778 8.39695
55 4HA9 NDP 0.0235 0.40686 8.39695
56 3DDC GNP 0.0287 0.40664 8.39695
57 1NVU GTP 0.02999 0.40562 8.39695
58 3B96 MYA 0.02401 0.40316 8.39695
59 2EW1 GNP 0.008113 0.43084 8.62944
60 2FFQ GSP 0.01741 0.41809 8.77193
61 3LCC SAH 0.02265 0.40093 9.13706
62 3BC1 GNP 0.006531 0.43893 9.16031
63 3NKV GNP 0.01006 0.42913 9.16031
64 3TKL GTP 0.01087 0.42586 9.16031
65 5SZH GNP 0.01363 0.42369 9.16031
66 3VMF GTP 0.01656 0.41781 9.16031
67 1F2U ATP 0.02488 0.40992 9.16031
68 3QKT ANP 0.02438 0.40754 9.16031
69 1YVD GNP 0.01029 0.42862 9.46746
70 5HWK BEZ 0.007403 0.41797 9.64467
71 3DOE GTP 0.01331 0.4197 9.92366
72 1KSH GDP 0.01417 0.41495 9.92366
73 4AUT FAD 0.03898 0.41272 9.92366
74 3ZQ6 ADP ALF 0.03217 0.40532 10.1523
75 1YAG ATP 0.03044 0.40248 10.4
76 2UZI GTP 0.02383 0.40951 10.5769
77 1ZC3 GNP 0.03157 0.40444 10.6195
78 2Q4W FAD 0.01274 0.43525 10.6599
79 2FJU GSP 0.01454 0.41438 10.6599
80 1UPT GTP 0.004916 0.43852 10.687
81 1O3Y GTP 0.008719 0.42922 10.687
82 2J59 GTP 0.01106 0.42387 10.687
83 1DJN ADP 0.01177 0.42406 11.4504
84 4DQ2 BTX 0.03339 0.40696 11.4504
85 1E96 GTP 0.01995 0.41356 11.6751
86 1R4A GNP 0.009516 0.42886 11.7647
87 2E5V FAD 0.02955 0.42377 12.1827
88 4I4B NAD 0.02389 0.4385 12.2137
89 1BH2 GSP 0.02873 0.40922 12.9771
90 2PHN GDP 0.01992 0.41214 13.7405
91 3WXM GTP 0.01176 0.42559 14.2132
92 1TU3 GNP 0.01446 0.4209 14.6199
93 1R2Q GNP 0.0183 0.42564 14.7059
94 3TNF GNP 0.00959 0.43314 15.2672
95 4LX0 BEF GDP 0.0111 0.42837 15.2672
96 4USQ FAD 0.02481 0.41956 15.2672
97 3BIY 01K 0.02285 0.40902 15.2672
98 4USR FAD 0.04087 0.4067 15.2672
99 2IVN ANP 0.03519 0.40194 15.2672
100 3GJX GTP 0.008367 0.43482 16.0305
101 4JIQ 1L5 0.02506 0.40975 16.0305
102 4JIQ FMN 0.02506 0.40975 16.0305
103 4HDQ GNP 0.02905 0.40635 16.2437
104 4GOJ GNP 0.007699 0.43032 16.25
105 2W2X GSP 0.01337 0.41625 18.3206
106 2FH5 GTP 0.005927 0.43436 19.8473
107 3WYG GTP 0.008425 0.4361 20.6107
108 5UWP GNP 0.009319 0.43379 20.6107
109 3WYF GTP 0.009586 0.43315 20.6107
110 3M1I GTP 0.01161 0.42735 20.6107
111 1NRJ GTP 0.004757 0.43925 21.374
112 2F5Z FAD 0.04965 0.41113 21.875
113 2HV8 GTP 0.02269 0.41063 23.4375
114 5EE5 GTP 0.008357 0.42848 23.6641
115 3F8D FAD 0.04866 0.42694 24.4275
116 2Q7V FAD 0.0247 0.4264 27.4809
117 4G4S LDZ 0.0007658 0.47542 28.2443
118 3NZW BOC TY5 ALA RE0 ABN 0.002546 0.45857 28.2443
119 5L2Z 70C 0.02921 0.4157 29.3103
120 2D7C GTP 0.01689 0.41737 35.7143
121 1APZ ASP 0.00000000007752 0.79785 46.8085
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