Receptor
PDB id Resolution Class Description Source Keywords
5DS8 1.95 Å NON-ENZYME: OTHER CONTEXT-INDEPENDENT ANTI-HYPUSINE ANTIBODY FABHPU98 IN COMPL HYPUSINE ORYCTOLAGUS CUNICULUS HYPUSINE ANTIBODY FABHPU98 EIF5A IMMUNE SYSTEM
Ref.: STRUCTURAL ANALYSIS AND OPTIMIZATION OF CONTEXT-IND ANTI-HYPUSINE ANTIBODIES. J.MOL.BIOL. V. 428 603 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 B:301;
P:101;
A:305;
B:302;
H:304;
H:305;
B:304;
L:301;
A:304;
H:303;
B:303;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
GLY 5CT GLY ALA P:3;
Valid;
Atoms found LESS than expected: % Diff = 0.034;
submit data
405.52 n/a O=C(N...
EDO A:301;
H:302;
H:301;
A:303;
A:302;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5DS8 1.95 Å NON-ENZYME: OTHER CONTEXT-INDEPENDENT ANTI-HYPUSINE ANTIBODY FABHPU98 IN COMPL HYPUSINE ORYCTOLAGUS CUNICULUS HYPUSINE ANTIBODY FABHPU98 EIF5A IMMUNE SYSTEM
Ref.: STRUCTURAL ANALYSIS AND OPTIMIZATION OF CONTEXT-IND ANTI-HYPUSINE ANTIBODIES. J.MOL.BIOL. V. 428 603 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 5DS8 - GLY 5CT GLY ALA n/a n/a
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 5DS8 - GLY 5CT GLY ALA n/a n/a
2 1FE8 - NAG C8 H15 N O6 CC(=O)N[C@....
3 1E4X Kd = 25 nM VAL VAL SER HIS PHE ASN ASP n/a n/a
4 4MA8 - Z80 C17 H19 Cl N2 S CN(C)CCCN1....
5 4UUJ - XA7 C24 H52 N CCCCCC[N+]....
50% Homology Family (21)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 3U7Y - FLC C6 H5 O7 C(C(=O)[O-....
2 1NC4 - DOF C23 H33 N5 O10 c1cc(ccc1C....
3 5DS8 - GLY 5CT GLY ALA n/a n/a
4 5DRN - 5CT C10 H23 N3 O3 C(CCNC[C@H....
5 3KDM Kd = 0.1 uM TES C19 H28 O2 C[C@]12CC[....
6 1QKZ - ALA ASN GLY GLY ALA SER GLY GLN VAL LYS n/a n/a
7 1NC2 - DOE C27 H41 N5 O10 S c1cc(ccc1C....
8 2HVK - TBA C16 H36 N CCCC[N+](C....
9 5DUB - GLY 5GG GLY ALA n/a n/a
10 5MES ic50 = 0.045 uM 7LT C44 H49 Cl2 N5 O4 CN1CCCN[C@....
11 1FE8 - NAG C8 H15 N O6 CC(=O)N[C@....
12 3LEV - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
13 5T85 - 44G C18 H35 O10 P CCCCCC(=O)....
14 1E4X Kd = 25 nM VAL VAL SER HIS PHE ASN ASP n/a n/a
15 4MA7 - P2Z C17 H20 N2 S CN(C)CCCN1....
16 4MA8 - Z80 C17 H19 Cl N2 S CN(C)CCCN1....
17 4DVR - 0LY C17 H24 Br N3 O2 CC1(CC(CC(....
18 4UUJ - XA7 C24 H52 N CCCCCC[N+]....
19 2DWE - TBA C16 H36 N CCCC[N+](C....
20 3PGF - GLC GLC n/a n/a
21 1MJJ Kd = 1.83 nM HAL C23 H29 N2 O7 P c1ccc(cc1)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GLY 5CT GLY ALA; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 GLY 5CT GLY ALA 1 1
2 GLY 5GG GLY ALA 0.746479 0.880952
3 GLY 5CT GLY SER GLY 0.7125 0.886364
4 GLY SER ILE THR THR LEU GLY LYS PHE GLY 0.414634 0.804348
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5DS8; Ligand: GLY 5CT GLY ALA; Similar sites found: 105
This union binding pocket(no: 1) in the query (biounit: 5ds8.bio2) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3ZZS TRP 0.01315 0.43898 None
2 1RSD PSB 0.01367 0.4903 1.65289
3 4BPM LVJ 0.02671 0.41457 2.24719
4 1CR1 TTP 0.00836 0.47309 2.33645
5 1Z34 2FD 0.008798 0.46169 2.33645
6 3A8U PLP 0.006455 0.44169 2.33645
7 2Q6K ADN 0.01143 0.46738 2.7027
8 2ZI8 SDT 0.01876 0.4242 2.7027
9 4JP3 CIT 0.047 0.4084 2.7027
10 3V91 UPG 0.04915 0.41952 3.15315
11 2PJL 047 0.02383 0.42413 3.23887
12 1WVC CTP 0.003659 0.49965 3.27103
13 4G1V FAD 0.0064 0.49057 3.27103
14 1G41 ADP 0.004153 0.48138 3.27103
15 4DA6 GA2 0.0139 0.4533 3.27103
16 1F8F NAD 0.04328 0.42667 3.27103
17 4NVP 7CH 0.04128 0.41335 3.34928
18 3D2M COA 0.01058 0.47962 3.73832
19 1E4I NFG 0.007085 0.44267 3.73832
20 2XZ3 MAL 0.01864 0.42434 3.73832
21 1JA9 PYQ 0.01915 0.42375 3.73832
22 2PAR TMP 0.00788 0.4579 3.9801
23 1OFH ADP 0.00245 0.49592 4.02299
24 1XP8 AGS 0.002757 0.48314 4.05405
25 1KW6 BPY 0.007441 0.47205 4.05405
26 3CXO 1N5 0.01291 0.43486 4.05405
27 3CXO 3LR 0.02911 0.41457 4.05405
28 4FFG LBS 0.01307 0.40873 4.05405
29 3MMR ABH 0.02979 0.43548 4.20561
30 2FWP CIT 0.03442 0.4132 4.37158
31 2FWP ICR 0.04616 0.41083 4.37158
32 1JQ5 NAD 0.003591 0.51522 4.5045
33 1VQ2 DDN 0.003411 0.49035 4.66321
34 4HPP GLU 0.001097 0.49408 4.6729
35 4KS1 2H8 0.02417 0.43281 4.6729
36 3CL7 HYN 0.02694 0.41102 4.6729
37 2IMP LAC 0.02208 0.4091 4.6729
38 2JEN GLC GLC BGC XYS BGC XYS 0.003504 0.49557 4.95496
39 2JEN GLC GLC XYS XYS 0.02008 0.4379 4.95496
40 1W55 C 0.02369 0.43649 4.95496
41 1W55 GPP 0.01367 0.41149 4.95496
42 1WKL ATP 0.002272 0.4929 5.10949
43 1WKL ADP 0.006662 0.4603 5.10949
44 1QCA FUA 0.006794 0.47615 5.16432
45 3M0J OAF 0.006552 0.44973 5.40541
46 2JE7 XMM 0.02154 0.4186 5.60748
47 1JN2 SFP 0.01309 0.41238 5.60748
48 1V8K ANP 0.04859 0.40551 5.85586
49 2CCV A2G 0.01245 0.42907 5.94059
50 3NOJ PYR 0.003547 0.45606 6.07477
51 3EM1 TYD 0.036 0.40404 6.16438
52 3Q3C NAD 0.04303 0.42547 6.30631
53 1O6B ADP 0.001264 0.50085 6.50888
54 1XMV ADP 0.003039 0.4862 6.54206
55 3RO7 TDR 0.0158 0.46846 6.54206
56 2GJ3 FAD 0.002068 0.50995 6.66667
57 4A8T PAO 0.001188 0.51507 6.75676
58 2P8B NSK 0.003941 0.50649 6.75676
59 2R7K ACP 0.006029 0.49203 6.75676
60 2R7K AMZ 0.006029 0.49203 6.75676
61 1ME8 RVP 0.04069 0.43936 6.75676
62 3IU9 T07 0.04945 0.42542 6.75676
63 1YOE RIB 0.03544 0.41023 6.75676
64 4LBP 1WG 0.03303 0.41178 7
65 1SAY PYR 0.04691 0.44823 7.00935
66 3UXL CFI 0.02767 0.42801 7.04961
67 1VCO GLN 0.002898 0.46193 7.20721
68 1C4U IH1 0.001766 0.46109 7.20721
69 4KCF AKM 0.02864 0.43359 7.20721
70 2X61 CH 0.04067 0.41165 7.20721
71 3C2O NTM 0.002345 0.51355 7.47664
72 3OIG NAD 0.03577 0.43374 7.47664
73 4IVG ANP 0.03175 0.43119 7.47664
74 2QS8 MET 0.04009 0.4075 7.47664
75 1GSA ADP 0.01008 0.45616 8.10811
76 4M6T SAM 0.005082 0.46338 8.19672
77 3QVL 5HY 0.002559 0.49017 8.41121
78 2W24 LYS 0.03942 0.40788 8.66667
79 1DXY NAD 0.007291 0.48598 9.00901
80 2NLI FMN 0.007956 0.46323 9.00901
81 2NLI LAC 0.007956 0.46323 9.00901
82 1DXY COI 0.005165 0.448 9.00901
83 3K9W 4PS 0.02424 0.45795 9.09091
84 3K9W ADE 0.02424 0.45795 9.09091
85 1YBH P22 0.00967 0.4412 9.34579
86 2GGH NLQ 0.04031 0.41582 9.34579
87 2ET1 GLV 0.001811 0.48645 9.81308
88 1BDB NAD 0.02664 0.44657 9.90991
89 1NPL MAN 0.003509 0.45136 10.0917
90 3O03 NAP 0.02954 0.437 10.2804
91 3O03 GCO 0.005354 0.4307 10.2804
92 1MVQ MMA 0.01917 0.42615 10.2804
93 1ZFJ IMP 0.003855 0.50341 10.7477
94 2BGM NAJ 0.0305 0.43625 11.6822
95 4QCK ASD 0.02059 0.41822 11.6822
96 4QN6 LNV 0.02504 0.4266 11.7117
97 3EJ0 11X 0.005006 0.44867 12.7551
98 1LTH NAD 0.03358 0.43525 13.0841
99 1I9G SAM 0.04847 0.41834 13.964
100 1G6O ADP 0.002963 0.4892 16.2162
101 1Q3Q ANP 0.03182 0.43525 16.8224
102 1OD6 PNS 0.009509 0.45989 16.875
103 2OWZ F6P 0.0311 0.42356 18.2243
104 4AF0 IMP 0.04417 0.42202 26.5766
105 4AF0 MOA 0.02172 0.41567 26.5766
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