Receptor
PDB id Resolution Class Description Source Keywords
5DRN 1.99 Å NON-ENZYME: OTHER CONTEXT-INDEPENDENT ANTI-HYPUSINE ANTIBODY FABHPU24 IN COMPL HYPUSINE ORYCTOLAGUS CUNICULUS HYPUSINE ANTIBODY FABHPU24 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
GOL L:301;
B:302;
H:301;
L:302;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
5CT L:303;
B:301;
Valid;
Valid;
Atoms found LESS than expected: % Diff = 0.063;
Atoms found LESS than expected: % Diff = 0.063;
submit data
233.308 C10 H23 N3 O3 C(CCN...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5DRN 1.99 Å NON-ENZYME: OTHER CONTEXT-INDEPENDENT ANTI-HYPUSINE ANTIBODY FABHPU24 IN COMPL HYPUSINE ORYCTOLAGUS CUNICULUS HYPUSINE ANTIBODY FABHPU24 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 5DRN - 5CT C10 H23 N3 O3 C(CCNC[C@H....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 5DRN - 5CT C10 H23 N3 O3 C(CCNC[C@H....
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: 5CT; Similar ligands found: 18
No: Ligand ECFP6 Tc MDL keys Tc
1 5CT 1 1
2 DLY 0.52381 0.764706
3 MLZ 0.5 0.717949
4 2YG 0.481481 0.725
5 ALY 0.469388 0.658537
6 HRG 0.469388 0.675
7 0TF 0.462963 0.725
8 DHH 0.444444 0.666667
9 ORN 0.44186 0.735294
10 ONH 0.434783 0.658537
11 CIR 0.416667 0.658537
12 DAB 0.414634 0.714286
13 LYS 0.413043 0.742857
14 2YJ 0.410714 0.725
15 SHR 0.410714 0.805556
16 API 0.404762 0.638889
17 NPI 0.404255 0.666667
18 LBY 0.403509 0.617021
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5DRN; Ligand: 5CT; Similar sites found: 181
This union binding pocket(no: 1) in the query (biounit: 5drn.bio2) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1QJC PNS 0.009122 0.47312 None
2 4FR3 0V4 0.003477 0.50696 1.85185
3 4FR3 LYS ARG ARG LYS SEP VAL 0.003477 0.50696 1.85185
4 2QXX TTP 0.01933 0.44047 1.86047
5 1Z34 2FD 0.0005364 0.54111 2.32558
6 2NLI LAC 0.009411 0.47043 2.32558
7 2NLI FMN 0.009411 0.47043 2.32558
8 3Q2I HP7 0.003807 0.50009 2.77778
9 2R7K AMZ 0.00631 0.50254 2.7907
10 2R7K ACP 0.00631 0.50254 2.7907
11 1JA9 NDP 0.009088 0.48223 2.7907
12 4AAW R84 0.0347 0.43692 3.05011
13 2PJL 047 0.01043 0.45341 3.23887
14 2OWZ CIT 0.0005738 0.50453 3.24074
15 2RHW C0E 0.01813 0.46126 3.24074
16 3V91 UPG 0.04653 0.42967 3.24074
17 3FSY SCA 0.002162 0.4939 3.25581
18 1GR0 NAD 0.01389 0.47381 3.25581
19 4C0C WVH 0.006963 0.47356 3.25581
20 3HZS M0E 0.009065 0.46447 3.34928
21 1UUY PPI 0.00339 0.42346 3.59281
22 1SAY PYR 0.000876 0.56187 3.7037
23 2XZ3 MAL 0.000653 0.51189 3.7037
24 3IU9 T07 0.005899 0.48714 3.7037
25 3LIH RAF 0.01443 0.42678 3.7037
26 3MMR ABH 0.00531 0.48753 3.72093
27 2P2V CSF 0.04725 0.43073 3.72093
28 1V1A KDG 0.04161 0.40546 3.72093
29 3BL6 FMC 0.03835 0.40485 3.72093
30 3VKX T3 0.04784 0.40228 3.72093
31 3RO7 TDR 0.0009674 0.5508 3.77358
32 4NVP 7CH 0.004614 0.47431 3.82775
33 4LBP 1WG 0.04909 0.41181 4
34 1C3M MAN MAN 0.008908 0.43143 4.08163
35 1VQ2 DDN 0.0004018 0.55583 4.14508
36 2TOH HBI 0.003933 0.46455 4.16667
37 2QS8 MET 0.03551 0.41695 4.16667
38 3MB5 SAM 0.03511 0.4381 4.18605
39 1D3V ABH 0.01892 0.43018 4.18605
40 1E4E ADP 0.0358 0.40641 4.18605
41 3K9W ADE 0.001825 0.53448 4.27807
42 3K9W 4PS 0.001825 0.53448 4.27807
43 3NBK PNS 0.0288 0.42612 4.51977
44 1Q3P GLU ALA GLN THR ARG LEU 0.03003 0.40672 4.58716
45 1OFH ADP 0.006178 0.45581 4.5977
46 3ZZS TRP 0.02616 0.43329 4.61538
47 1W55 GPP 0.0004623 0.4959 4.62963
48 1LTH FBP 0.0002009 0.49417 4.62963
49 1LTH NAD 0.00531 0.486 4.62963
50 2BNF UTP 0.01043 0.45821 4.62963
51 1W55 C 0.01774 0.45338 4.62963
52 1JCM 137 0.03762 0.41807 4.62963
53 4HPP GLU 0.002292 0.49077 4.65116
54 3CL7 HYN 0.01062 0.44194 4.65116
55 2XVF FAD 0.03012 0.4319 4.65116
56 3CQD ATP 0.04033 0.42488 4.65116
57 3EM1 TYD 0.01149 0.43939 4.79452
58 4M6T SAM 0.01472 0.44999 4.91803
59 1NXJ GLV 0.005457 0.4347 4.91803
60 1NXJ TLA 0.03862 0.40205 4.91803
61 2JEN GLC GLC BGC XYS BGC XYS 0.0002373 0.57566 5.09259
62 2JEN GLC GLC XYS XYS 0.0001327 0.56889 5.09259
63 3LPF Z77 0.03442 0.41767 5.09259
64 2Q1A 2KT 0.03451 0.41205 5.09259
65 1IZC PYR 0.006827 0.44879 5.11628
66 2BGM NAJ 0.04369 0.43669 5.11628
67 1QCA FUA 0.01223 0.47297 5.16432
68 4OYA 1VE 0.002106 0.53225 5.55556
69 1WVC CTP 0.002553 0.52118 5.55556
70 1WL4 COA 0.00135 0.5121 5.55556
71 1XP8 AGS 0.002534 0.49792 5.55556
72 3M0J OAF 0.006277 0.4623 5.55556
73 4TSK NDP 0.02914 0.44685 5.55556
74 5E65 5N6 GAL 0.007431 0.43859 5.55556
75 1JQ5 NAD 0.0005485 0.57713 5.5814
76 1DXY NAD 0.0009661 0.54926 5.5814
77 1DXY COI 0.0009352 0.49886 5.5814
78 2GGH NLQ 0.01335 0.44925 5.5814
79 1E4I NFG 0.009113 0.44835 5.5814
80 2PWY SAH 0.02424 0.42162 5.81395
81 1F7K UMP 0.01092 0.44056 5.88235
82 2CCV A2G 0.0007931 0.50261 5.94059
83 2P8B NSK 0.01212 0.48951 6.01852
84 4DA6 GA2 0.02196 0.45254 6.01852
85 4MWV BCZ 0.01475 0.44894 6.01852
86 2YYJ 4HP 0.003392 0.51286 6.04651
87 2YYJ FAD 0.003392 0.51286 6.04651
88 1G7V PAI 0.04826 0.42234 6.04651
89 4LSJ LSJ 0.04216 0.40595 6.04651
90 1SBZ FMN 0.04712 0.41614 6.09137
91 2PAR TMP 0.00129 0.51268 6.46766
92 1ZFJ IMP 0.001489 0.54022 6.48148
93 3K37 BCZ 0.003641 0.50995 6.48148
94 1Q3Q ANP 0.0251 0.44923 6.48148
95 1Z4V DAN 0.02025 0.43723 6.48148
96 4G1V FAD 0.00004395 0.63026 6.51163
97 4IAE 1DX 0.01018 0.46812 6.51163
98 1NME 159 0.03639 0.4005 6.52174
99 2W8Q SIN 0.01806 0.42352 6.57084
100 4HGP KDO 0.01158 0.45261 6.66667
101 4A8T PAO 0.00007427 0.59766 6.94444
102 3O03 NAP 0.01152 0.46989 6.94444
103 4KS1 2H8 0.04626 0.42674 6.94444
104 3O03 GCO 0.02816 0.40617 6.94444
105 4B7J G39 0.01464 0.44488 6.97674
106 2RDT 2RD 0.0004584 0.5556 7.40741
107 1SAZ ACP 0.001061 0.53995 7.44186
108 1T26 GBD 0.01673 0.47691 7.44186
109 1T26 NAI 0.01673 0.47691 7.44186
110 4IVG ANP 0.01164 0.46523 7.44186
111 4CMF PXG 0.01944 0.45267 7.44186
112 1LDM NAD 0.004084 0.49971 7.87037
113 1NVV GNP 0.04552 0.43438 7.87037
114 2J8Z NAP 0.03976 0.41678 7.87037
115 1KW6 BPY 0.0001184 0.58609 7.90698
116 1XMV ADP 0.001102 0.52357 7.90698
117 2HW1 ANP 0.01977 0.42315 7.90698
118 1UQX MMA 0.002993 0.47075 7.9646
119 2FWP ICR 0.003899 0.47827 8.19672
120 2HMT NAI 0.01723 0.45409 8.33333
121 3CKZ ZMR 0.01131 0.45915 8.37209
122 1Z6K OAA 0.01037 0.4247 8.37209
123 4TMK T5A 0.002768 0.52924 8.4507
124 2PN6 GLN 0.00524 0.49727 8.66667
125 1V5F FAD 0.01122 0.50148 8.7963
126 1V5F TPP 0.01122 0.50148 8.7963
127 4N02 FNR 0.003635 0.49527 8.7963
128 2NZ2 CIR 0.005353 0.46056 8.7963
129 1YOE RIB 0.01142 0.44584 8.7963
130 2ZI8 SDT 0.0174 0.43608 8.7963
131 4EKV BTN 0.001132 0.50481 8.80503
132 4Q3R XA2 0.02227 0.42641 8.83721
133 1H9G COA MYR 0.04433 0.41177 8.83721
134 1O6B ADP 0.001108 0.51783 8.87574
135 3A0E M3M 0.009958 0.41309 9.09091
136 1LO8 4CA 0.04656 0.43753 9.21986
137 4OJ8 AKG 0.04761 0.4016 9.25926
138 1CR1 TTP 0.03561 0.44774 9.30233
139 2H6B 3C4 0.04806 0.43301 9.30233
140 1MVN FMN 0.009594 0.4602 9.56938
141 3CH5 GDP 0.007656 0.46009 9.61539
142 1LCP PLU 0.03665 0.41491 9.72222
143 1H6W SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 0.01978 0.45187 9.76744
144 3L02 SN0 0.03803 0.42124 9.76744
145 3L02 CP 0.03803 0.42124 9.76744
146 1RSD PSB 0.0006686 0.58217 9.91736
147 3BW2 FMN 0.01335 0.44348 10.1852
148 3EJ0 11X 0.0037 0.43861 10.1852
149 2OD9 A1R NCA 0.02243 0.43138 10.2326
150 2QQF A1R 0.04894 0.40817 10.2326
151 1F8F NAD 0.01591 0.46052 10.6977
152 1PKK DCP 0.01066 0.43873 10.7843
153 2VJJ RAM GLC GAL NAG NAG GLC 0.01141 0.46533 11.1111
154 4KCF AKM 0.02285 0.4487 11.1111
155 1OD6 PNS 0.004035 0.49191 11.25
156 1ME8 RVP 0.004841 0.50273 12.037
157 2GJ3 FAD 0.0001808 0.58459 12.093
158 3C2O NTM 0.01342 0.4817 12.093
159 1C4U IH1 0.001148 0.48403 12.5
160 1V2X SAM 0.04976 0.40059 12.8866
161 3LEO GSH 0.0006359 0.51251 12.9032
162 1JN2 SFP 0.0008779 0.48194 12.963
163 3QVL 5HY 0.0002051 0.56454 13.0233
164 1JH7 UVC 0.00769 0.46546 13.0233
165 1BDB NAD 0.02409 0.45876 13.8889
166 2J07 FAD 0.03824 0.43526 13.9535
167 2J07 HDF 0.03824 0.43526 13.9535
168 1RM4 NDP 0.02559 0.45138 14.8148
169 4IU0 ABH 0.01747 0.42755 15.2778
170 1JSH SIA GAL 0.03764 0.41006 15.9091
171 3B96 MYA 0.03643 0.40769 16.2037
172 1YBH FAD 0.01565 0.47589 16.7442
173 1YBH CIE 0.03684 0.4289 16.7442
174 2D4N DUP 0.01741 0.42992 18.4211
175 1G6O ADP 0.002515 0.50589 18.5185
176 1NPL MAN 0.001139 0.48911 20.1835
177 2W24 LYS 0.02597 0.42675 20.6667
178 2A0W DIH 0.0193 0.43892 20.8333
179 1EP2 ORO 0.01129 0.45211 22.6852
180 4AF0 IMP 0.003976 0.48975 25
181 4GQB 0XU 0.01595 0.45901 40.9091
Pocket No.: 2; Query (leader) PDB : 5DRN; Ligand: 5CT; Similar sites found: 56
This union binding pocket(no: 2) in the query (biounit: 5drn.bio1) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2XD9 XD9 0.03354 0.47027 1.1976
2 1DKU AP2 0.04374 0.41271 2.31481
3 3I51 6PL 0.02973 0.41975 2.32558
4 2JAR UMP 0.03336 0.408 2.5
5 1P4C FMN 0.04032 0.44348 2.77778
6 1SSQ CYS 0.03416 0.43616 2.77778
7 1JA9 PYQ 0.002469 0.48123 2.7907
8 3Q3C NAD 0.0012 0.52236 3.24074
9 4IZC 1GZ 0.0376 0.43605 3.63636
10 1EDO NAP 0.01918 0.46343 3.7037
11 1WXI AMP 0.04495 0.42407 3.72093
12 2NT8 ATP 0.004609 0.46683 4.16667
13 4I9A NCN 0.02063 0.43212 4.16667
14 3VOZ 04A 0.007966 0.43806 4.18605
15 1UFY MLI 0.01433 0.4055 4.91803
16 2WK1 SAH 0.03567 0.40976 5.09259
17 1ZK4 NAP 0.01625 0.47196 5.11628
18 1ZK4 AC0 0.01625 0.47196 5.11628
19 2BGM MAX 0.004414 0.46193 5.11628
20 4LXH C1E 0.01685 0.42146 5.11628
21 2JE7 XMM 0.02387 0.42617 5.43933
22 2CSN CKI 0.03219 0.41791 5.55556
23 3CXO 3LR 0.04303 0.41492 5.5814
24 4AP9 1PS 0.04759 0.40161 5.97015
25 1CSI OAA 0.02626 0.43707 6.01852
26 1CSI CMX 0.02626 0.43707 6.01852
27 2X61 CH 0.006672 0.46985 6.04651
28 2X61 NGA GAL SIA 0.02715 0.4486 6.04651
29 3OIG NAD 0.04796 0.43558 6.04651
30 3OIG IMJ 0.03142 0.42684 6.04651
31 2V5K OXM 0.02775 0.40331 6.27178
32 1KWK GAL 0.003613 0.45756 6.94444
33 1HFS L04 0.03121 0.42592 6.94444
34 1LDM OXM 0.001819 0.46095 7.87037
35 2PNZ UDP 0.006182 0.45579 7.87037
36 1NVU GTP 0.02402 0.45032 7.87037
37 1G0N PHH 0.02466 0.44038 7.87037
38 4QDF 30Q 0.002936 0.47507 7.90698
39 2ZX7 ZX7 0.02006 0.43459 7.90698
40 4QDC ASD 0.04633 0.41136 7.90698
41 1GSA GSH 0.002735 0.49316 7.91139
42 1GSA ADP 0.02139 0.4488 7.91139
43 2FWP CIT 0.004616 0.46945 8.19672
44 3D3W NAP 0.04314 0.4193 8.7963
45 2IMP LAC 0.0314 0.41105 9.76744
46 2DUA OXL 0.0005536 0.50129 10.2326
47 4LN7 1ZQ 0.02379 0.41379 10.5263
48 1I9G SAM 0.02881 0.43994 11.1111
49 1WVG CXY 0.01568 0.43 12.037
50 2BS5 BGC GAL FUC 0.03047 0.41918 13.3333
51 4G4S LDZ 0.0371 0.40385 13.9535
52 1NU4 MLA 0.01845 0.40021 15.4639
53 2PY4 DUP 0.03308 0.43195 15.814
54 1ML4 PAL 0.0202 0.42184 16.6667
55 4A3R CIT 0.002275 0.49095 18.5185
56 4AF0 MOA 0.03188 0.41677 25
Feedback