Receptor
PDB id Resolution Class Description Source Keywords
3TI8 1.6 Å EC: 3.2.1.18 CRYSTAL STRUCTURE OF INFLUENZA A VIRUS NEURAMINIDASE N5 COMP LANINAMIVIR INFLUENZA A VIRUS 6-BLADED BETA-PROPELLER CALCIUM BINDING GLYCOSYLATION ANTHYDROLASE-HYDROLASE INHIBITOR COMPLEX
Ref.: STRUCTURAL AND FUNCTIONAL ANALYSIS OF LANINAMIVIR A OCTANOATE PRODRUG REVEALS GROUP SPECIFIC MECHANISMS INFLUENZA NA INHIBITION PLOS PATHOG. V. 7 02249 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:601;
B:601;
Part of Protein;
Part of Protein;
none;
none;
submit data
40.078 Ca [Ca+2...
LNV A:901;
B:901;
Valid;
Valid;
none;
none;
ic50 = 0.9 nM
346.336 C13 H22 N4 O7 [H]/N...
NAG A:801;
A:803;
Part of Protein;
Part of Protein;
none;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
NAG NAG B:801;
B:803;
Part of Protein;
Part of Protein;
none;
none;
submit data
408.404 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3TI8 1.6 Å EC: 3.2.1.18 CRYSTAL STRUCTURE OF INFLUENZA A VIRUS NEURAMINIDASE N5 COMP LANINAMIVIR INFLUENZA A VIRUS 6-BLADED BETA-PROPELLER CALCIUM BINDING GLYCOSYLATION ANTHYDROLASE-HYDROLASE INHIBITOR COMPLEX
Ref.: STRUCTURAL AND FUNCTIONAL ANALYSIS OF LANINAMIVIR A OCTANOATE PRODRUG REVEALS GROUP SPECIFIC MECHANISMS INFLUENZA NA INHIBITION PLOS PATHOG. V. 7 02249 2011
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 25 families.
1 4QN5 - SIA GAL n/a n/a
2 3SAN - ZMR C12 H20 N4 O7 CC(=O)N[C@....
3 3TI8 ic50 = 0.9 nM LNV C13 H22 N4 O7 [H]/N=C(N)....
70% Homology Family (28)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 21 families.
1 2HTQ - ZMR C12 H20 N4 O7 CC(=O)N[C@....
2 2HT5 - NDG C8 H15 N O6 CC(=O)N[C@....
3 3O9J - RP6 C14 H21 N O8 CC(=O)N[C@....
4 2HTU - BCZ C15 H28 N4 O4 CCC(CC)[C@....
5 4D8S ic50 = 0.32 uM 0HX C13 H21 N O6 CCC(CC)O[C....
6 2HTR - DAN C11 H17 N O8 CC(=O)N[C@....
7 3O9K - ETT C21 H27 N O8 Cc1ccc(cc1....
8 4M3M - 22N C14 H24 N2 O4 CCC(CC)O[C....
9 4KS4 Ki = 72 nM 1SN C19 H30 N4 O5 CC[C@H](c1....
10 4KS1 Kd = 1.5 nM 2H8 C14 H24 N2 O4 CCC(CC)O[C....
11 4MJU - 27S C16 H23 N3 O5 S CCC(CC)O[C....
12 2HT8 - G39 C14 H24 N2 O4 CCC(CC)O[C....
13 4WA5 ic50 = 1.29 nM ZMR C12 H20 N4 O7 CC(=O)N[C@....
14 4WA4 ic50 = 0.66 nM G39 C14 H24 N2 O4 CCC(CC)O[C....
15 4QN5 - SIA GAL n/a n/a
16 3SAN - ZMR C12 H20 N4 O7 CC(=O)N[C@....
17 3TI8 ic50 = 0.9 nM LNV C13 H22 N4 O7 [H]/N=C(N)....
18 2HU4 - G39 C14 H24 N2 O4 CCC(CC)O[C....
19 3TI6 ic50 = 0.54 nM G39 C14 H24 N2 O4 CCC(CC)O[C....
20 3TI3 ic50 = 1.83 nM LNV C13 H22 N4 O7 [H]/N=C(N)....
21 3TI5 ic50 = 1.11 nM ZMR C12 H20 N4 O7 CC(=O)N[C@....
22 3CL0 Ki = 20.8 nM G39 C14 H24 N2 O4 CCC(CC)O[C....
23 4B7R Ki = 0.23 nM G39 C14 H24 N2 O4 CCC(CC)O[C....
24 3TI4 ic50 = 947 nM LVO C21 H36 N4 O8 [H]/N=C(N)....
25 2HTY - NAG C8 H15 N O6 CC(=O)N[C@....
26 3CKZ Ki = 0.19 nM ZMR C12 H20 N4 O7 CC(=O)N[C@....
27 3B7E - ZMR C12 H20 N4 O7 CC(=O)N[C@....
28 4B7J Ki = 11.1 nM G39 C14 H24 N2 O4 CCC(CC)O[C....
50% Homology Family (103)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 14 families.
1 2HTQ - ZMR C12 H20 N4 O7 CC(=O)N[C@....
2 2HT5 - NDG C8 H15 N O6 CC(=O)N[C@....
3 3O9J - RP6 C14 H21 N O8 CC(=O)N[C@....
4 2HTU - BCZ C15 H28 N4 O4 CCC(CC)[C@....
5 4D8S ic50 = 0.32 uM 0HX C13 H21 N O6 CCC(CC)O[C....
6 2HTR - DAN C11 H17 N O8 CC(=O)N[C@....
7 3O9K - ETT C21 H27 N O8 Cc1ccc(cc1....
8 4M3M - 22N C14 H24 N2 O4 CCC(CC)O[C....
9 4KS4 Ki = 72 nM 1SN C19 H30 N4 O5 CC[C@H](c1....
10 4KS1 Kd = 1.5 nM 2H8 C14 H24 N2 O4 CCC(CC)O[C....
11 4MJU - 27S C16 H23 N3 O5 S CCC(CC)O[C....
12 2HT8 - G39 C14 H24 N2 O4 CCC(CC)O[C....
13 1F8E Ki = 15 uM 49A C11 H19 N3 O6 CC(=O)N[C@....
14 4MWW - G39 C14 H24 N2 O4 CCC(CC)O[C....
15 2QWG ic50 = 230 uM G28 C13 H23 N3 O5 CCN(CC)C(=....
16 1INY - EQP C10 H20 N O9 P CC(=O)N[C@....
17 1F8B Ki = 4 uM DAN C11 H17 N O8 CC(=O)N[C@....
18 1XOE ic50 = 41 nM ABX C14 H24 N2 O5 CC(C)C[C@@....
19 4MWX ic50 = 75.7 nM ZMR C12 H20 N4 O7 CC(=O)N[C@....
20 2QWC Ki = 280 uM DAN C11 H17 N O8 CC(=O)N[C@....
21 2QWJ ic50 = 0.23 uM G28 C13 H23 N3 O5 CCN(CC)C(=....
22 2QWI Ki = 2.16 uM G20 C14 H23 N5 O5 [H]/N=C(/N....
23 4MWY ic50 = 89.6 nM LNV C13 H22 N4 O7 [H]/N=C(N)....
24 1L7G - BCZ C15 H28 N4 O4 CCC(CC)[C@....
25 1BJI ic50 = 0.002 uM DPC C20 H27 N3 O5 CCCN(CCc1c....
26 1F8D Ki = 400 uM 9AM C11 H18 N2 O7 CC(=O)N[C@....
27 2QWE Ki = 0.033 uM GNA C12 H22 N4 O7 CC(=O)N[C@....
28 4MWQ ic50 = 0.79 nM G39 C14 H24 N2 O4 CCC(CC)O[C....
29 1NNC - ZMR C12 H20 N4 O7 CC(=O)N[C@....
30 4MX0 ic50 = 184.7 nM BCZ C15 H28 N4 O4 CCC(CC)[C@....
31 2QWB Ki = 1820 uM SIA C11 H19 N O9 CC(=O)N[C@....
32 2QWK ic50 = 0.002 uM G39 C14 H24 N2 O4 CCC(CC)O[C....
33 2QWF Ki = 2.16 uM G20 C14 H23 N5 O5 [H]/N=C(/N....
34 1MWE - SIA C11 H19 N O9 CC(=O)N[C@....
35 4MWR ic50 = 0.41 nM ZMR C12 H20 N4 O7 CC(=O)N[C@....
36 1L7F - BCZ C15 H28 N4 O4 CCC(CC)[C@....
37 1F8C Ki = 0.04 uM 4AM C11 H18 N2 O7 CC(=O)N[C@....
38 4MWU ic50 = 3.24 nM LNV C13 H22 N4 O7 [H]/N=C(N)....
39 5JYY - 6PY C16 H27 N5 O9 [H]/N=C(N)....
40 2QWD Ki = 14 uM 4AM C11 H18 N2 O7 CC(=O)N[C@....
41 2QWH ic50 = 13 uM G39 C14 H24 N2 O4 CCC(CC)O[C....
42 4WEG - DF4 C11 H16 F N O8 CC(=O)N[C@....
43 4MWV ic50 = 0.4 nM BCZ C15 H28 N4 O4 CCC(CC)[C@....
44 4DGR ic50 = 4.4 uM 3LV C20 H30 N2 O5 CCCN(CCC)C....
45 1L7H - BCZ C15 H28 N4 O4 CCC(CC)[C@....
46 4GZP Ki = 14.3 nM G39 C14 H24 N2 O4 CCC(CC)O[C....
47 4GZT Ki = 17 nM G39 C14 H24 N2 O4 CCC(CC)O[C....
48 4GZX - SIA C11 H19 N O9 CC(=O)N[C@....
49 4GZW Kd = 30 uM NAG SIA GAL n/a n/a
50 4GZQ - SIA C11 H19 N O9 CC(=O)N[C@....
51 1INF ic50 = 10 uM ST4 C10 H14 N4 O3 CC(=O)Nc1c....
52 1B9T ic50 = 8 uM RAI C14 H18 N4 O5 c1cc(c(cc1....
53 1IVB - ST1 C9 H8 N2 O6 CC(=O)Nc1c....
54 1A4Q ic50 = 3.6 uM DPC C20 H27 N3 O5 CCCN(CCc1c....
55 1NSC - SIA C11 H19 N O9 CC(=O)N[C@....
56 1A4G ic50 = 0.004 uM ZMR C12 H20 N4 O7 CC(=O)N[C@....
57 1INV - EQP C10 H20 N O9 P CC(=O)N[C@....
58 1B9S ic50 = 667 uM FDI C15 H20 N2 O4 CCC(CC)C(=....
59 3K37 ic50 = 2.8 nM BCZ C15 H28 N4 O4 CCC(CC)[C@....
60 1VCJ ic50 = 26 uM IBA C18 H27 N3 O4 CCC(CC)Nc1....
61 1B9V ic50 = 224 uM RA2 C18 H26 N2 O5 CCC(CC)Nc1....
62 1NSD - DAN C11 H17 N O8 CC(=O)N[C@....
63 4H53 - SLB C11 H19 N O9 CC(=O)N[C@....
64 4K1I - G39 C14 H24 N2 O4 CCC(CC)O[C....
65 4K1J - G39 C14 H24 N2 O4 CCC(CC)O[C....
66 4K1K - G39 C14 H24 N2 O4 CCC(CC)O[C....
67 1ING - ST5 C11 H12 N2 O5 CC(=O)Nc1c....
68 1INH - ST6 C11 H14 N3 O4 CC(=O)Nc1c....
69 1IVF - DAN C11 H17 N O8 CC(=O)N[C@....
70 1IVE - ST3 C9 H10 N2 O3 CC(=O)Nc1c....
71 1INX - EQP C10 H20 N O9 P CC(=O)N[C@....
72 1INW - AXP C10 H20 N O9 P CC(=O)N[C@....
73 2BAT - SIA C11 H19 N O9 CC(=O)N[C@....
74 1IVC - ST2 C9 H10 N2 O4 CC(=O)Nc1c....
75 1IVD - ST1 C9 H8 N2 O6 CC(=O)Nc1c....
76 4QN6 - LNV C13 H22 N4 O7 [H]/N=C(N)....
77 4WA5 ic50 = 1.29 nM ZMR C12 H20 N4 O7 CC(=O)N[C@....
78 4WA4 ic50 = 0.66 nM G39 C14 H24 N2 O4 CCC(CC)O[C....
79 4QN5 - SIA GAL n/a n/a
80 3SAN - ZMR C12 H20 N4 O7 CC(=O)N[C@....
81 3TI8 ic50 = 0.9 nM LNV C13 H22 N4 O7 [H]/N=C(N)....
82 2HU4 - G39 C14 H24 N2 O4 CCC(CC)O[C....
83 3TI6 ic50 = 0.54 nM G39 C14 H24 N2 O4 CCC(CC)O[C....
84 3TI3 ic50 = 1.83 nM LNV C13 H22 N4 O7 [H]/N=C(N)....
85 3TI5 ic50 = 1.11 nM ZMR C12 H20 N4 O7 CC(=O)N[C@....
86 3CL0 Ki = 20.8 nM G39 C14 H24 N2 O4 CCC(CC)O[C....
87 4B7R Ki = 0.23 nM G39 C14 H24 N2 O4 CCC(CC)O[C....
88 3TI4 ic50 = 947 nM LVO C21 H36 N4 O8 [H]/N=C(N)....
89 2HTY - NAG C8 H15 N O6 CC(=O)N[C@....
90 3CKZ Ki = 0.19 nM ZMR C12 H20 N4 O7 CC(=O)N[C@....
91 3B7E - ZMR C12 H20 N4 O7 CC(=O)N[C@....
92 4CPN - ZMR C12 H20 N4 O7 CC(=O)N[C@....
93 4CPY Ki = 491.35 nM G39 C14 H24 N2 O4 CCC(CC)O[C....
94 4CPZ Ki = 20.85 nM ZMR C12 H20 N4 O7 CC(=O)N[C@....
95 4B7J Ki = 11.1 nM G39 C14 H24 N2 O4 CCC(CC)O[C....
96 4QN7 ic50 = 0.84 nM G39 C14 H24 N2 O4 CCC(CC)O[C....
97 3TIC ic50 = 1.36 nM ZMR C12 H20 N4 O7 CC(=O)N[C@....
98 3TIA ic50 = 3.12 nM LNV C13 H22 N4 O7 [H]/N=C(N)....
99 3TIB ic50 = 129 nM LVO C21 H36 N4 O8 [H]/N=C(N)....
100 4HZZ ic50 = 8.31 nM G39 C14 H24 N2 O4 CCC(CC)O[C....
101 4I00 - ZMR C12 H20 N4 O7 CC(=O)N[C@....
102 4HZW ic50 = 1.31 nM LNV C13 H22 N4 O7 [H]/N=C(N)....
103 4HZX ic50 = 0.5 nM G39 C14 H24 N2 O4 CCC(CC)O[C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: LNV; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 LNV 1 1
2 6PY 0.675 0.854839
3 LVO 0.627907 0.854839
4 G20 0.439024 0.723077
5 DAN 0.434211 0.701754
6 4AM 0.434211 0.767857
7 9AM 0.410256 0.706897
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3TI8; Ligand: LNV; Similar sites found: 138
This union binding pocket(no: 1) in the query (biounit: 3ti8.bio1) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1PEA ACM 0.008721 0.45229 1.2987
2 1GR0 NAD 0.0000516 0.4414 1.3624
3 4G1V FAD 0.00002064 0.46441 1.51899
4 1N6B DMZ 0.0000005888 0.45598 1.51899
5 1VKO NAD 0.00004698 0.43944 1.51899
6 1KY8 NAP 0.001209 0.4112 1.51899
7 2X61 CH 0.000007845 0.43233 1.55039
8 2X61 NGA GAL SIA 0.00006768 0.42657 1.55039
9 1Q3Q ANP 0.000003298 0.46158 1.77215
10 3O9P MHI 0.0006149 0.40644 1.77215
11 2R0N TGC 0.0003169 0.4401 1.77665
12 2NLI LAC 0.00003514 0.42812 1.90217
13 2NLI FMN 0.00003514 0.42812 1.90217
14 1ZK4 AC0 0.00003823 0.448 1.99203
15 1ZK4 NAP 0.00003823 0.448 1.99203
16 3HPF GAE 0.00002758 0.41263 2.04604
17 3O03 NAP 0.0003548 0.40737 2.06186
18 1DXY NAD 0.0006818 0.41842 2.1021
19 1WKL ADP 0.000003506 0.44387 2.18978
20 1WKL ATP 0.00001066 0.44271 2.18978
21 1AL8 DHP 0.00001476 0.44986 2.22841
22 1AL8 FMN 0.00002623 0.43142 2.22841
23 3MB5 SAM 0.0003415 0.40241 2.35294
24 2XD9 XD9 0.003186 0.41327 2.39521
25 1G7V PAI 0.0001292 0.40223 2.46479
26 1I9G SAM 0.00007535 0.41521 2.5
27 3CXO 1N5 0.000004129 0.42447 2.53165
28 3OH3 UAD 0.006701 0.41454 2.53165
29 2F2U M77 0.02242 0.40241 2.53165
30 3OIG NAD 0.00002214 0.44143 2.63158
31 3EAU PDN 0.0007207 0.41192 2.75229
32 3EAU NDP 0.0007207 0.41192 2.75229
33 1PJ6 FOL 0.00004405 0.41882 2.78481
34 4A3R CIT 0.00004653 0.40678 2.78481
35 4N02 FNR 0.0000004317 0.48037 2.80112
36 4O8O AHR 0.004501 0.40754 2.86458
37 2BGM NAJ 0.0005145 0.40306 2.8777
38 1EXB NDP 0.0003567 0.41654 2.91262
39 1JA9 NDP 0.00001524 0.45295 2.91971
40 2BLE 5GP 0.0003893 0.40795 2.99728
41 4IVG ANP 0.000001309 0.46531 3.03797
42 2IMP NAI 0.0002963 0.42284 3.03797
43 4OYA 1VE 0.0006897 0.42144 3.03797
44 1QCA FUA 0.0006811 0.40522 3.28639
45 1SAY PYR 0.0007685 0.42709 3.3241
46 1D7O TCL 0.00002547 0.45443 3.367
47 1D7O NAD 0.00002547 0.45443 3.367
48 3IU9 T07 0.0003586 0.40809 3.47222
49 1I2B USQ 0.0001003 0.45532 3.5443
50 1I2B UPG 0.0001003 0.45532 3.5443
51 1I2B NAD 0.0001003 0.45532 3.5443
52 2PP3 LGT 0.00008197 0.43722 3.5443
53 1BDB NAD 0.00002788 0.44731 3.61011
54 3DGB MUC 0.00004531 0.44145 3.66492
55 1JQ5 NAD 0.001002 0.4265 3.78378
56 4B63 NAP 0.0002073 0.45005 3.79747
57 1YBH FAD 0.0000549 0.44762 3.79747
58 4B63 ORN 0.0008647 0.43006 3.79747
59 4B63 FAD 0.0008647 0.43006 3.79747
60 2WA4 069 0.005399 0.42441 3.79747
61 2GGH NLQ 0.00002402 0.4125 3.79747
62 1W31 SHO 0.0003835 0.40296 3.80117
63 1G6O ADP 0.0001896 0.41285 3.93939
64 2P8B NSK 0.0002532 0.43737 4.05063
65 4HE2 AMP 0.00001312 0.41006 4.05063
66 2BJK NAD 0.0002481 0.40839 4.05063
67 1LTH NAD 0.00001071 0.44376 4.07523
68 2R7K AMZ 0.0007453 0.4189 4.15512
69 2R7K ACP 0.0007453 0.4189 4.15512
70 2P2V CSF 0.00002178 0.43353 4.16667
71 1SJW NGV 0.00003269 0.41372 4.16667
72 1XMV ADP 0.00002034 0.43538 4.21348
73 1G8S MET 0.04565 0.40482 4.34783
74 1E8G FCR 0.000001102 0.49942 4.55696
75 1K97 ASP 0.00001901 0.45804 4.55696
76 1K97 CIR 0.00001901 0.45804 4.55696
77 1ME8 RVP 0.00001755 0.45756 4.55696
78 1E8G FAD 0.0003836 0.42678 4.55696
79 1X1T NAD 0.00004368 0.44189 4.61538
80 4CMF PXG 0.00008938 0.41757 4.65839
81 1NVU GTP 0.00003632 0.43184 4.81013
82 1NVV GNP 0.0001535 0.41527 4.81013
83 1V7R CIT 0.001896 0.50475 4.83871
84 1RP0 AHZ 0.0001035 0.42997 4.92958
85 2RHW C0E 0.00002828 0.4404 4.947
86 4KCF AKM 0.0002796 0.40467 5.06329
87 1JQN DCO 0.0000527 0.40044 5.06329
88 3C2O NTM 0.0008506 0.41563 5.10204
89 1V5F FAD 0.001352 0.42701 5.31646
90 1V5F TPP 0.001352 0.42701 5.31646
91 1ZFJ IMP 0.001172 0.41366 5.31646
92 4PNI KQQ 0.001701 0.41008 5.31646
93 4AF0 IMP 0.0002565 0.40367 5.31646
94 4A8H PUW 0.00001217 0.41065 5.35211
95 1GSA ADP 0.000003526 0.4517 5.37975
96 1WVC CTP 0.000005135 0.47572 5.40541
97 2RDT 2RD 0.00002162 0.44708 5.42636
98 2RDT FMN 0.0000297 0.43416 5.42636
99 1OMZ UD2 0.000004925 0.44288 5.56962
100 3DJL FAD 0.0007555 0.41134 5.56962
101 4A8T PAO 0.0000007141 0.48366 5.60472
102 2ZI8 SDT 0.00000792 0.41363 5.66667
103 2GJ3 FAD 0.00002042 0.4542 5.83333
104 1FA2 DOM 0.00000387 0.41766 6.07595
105 3V91 UPG 0.0001309 0.41121 6.52921
106 4TMK T5A 0.00004541 0.46122 6.57277
107 1RSD PSB 0.008332 0.40709 6.61157
108 1VQ2 DDN 0.000006799 0.45716 6.73575
109 1HV9 UD1 0.0002071 0.40291 6.83544
110 3K9W 4PS 0.000414 0.42636 6.95187
111 3K9W ADE 0.000414 0.42636 6.95187
112 1P4C FMN 0.00004716 0.43778 7.10526
113 2GN4 UD1 0.001985 0.42781 7.26744
114 2GN4 NDP 0.002751 0.42189 7.26744
115 2BJF DXC 0.00001422 0.42865 7.29483
116 1KW6 BPY 0.0003759 0.40997 7.53425
117 2HMT NAI 0.00001363 0.43655 7.63889
118 4Q0P 0MK 0.0001835 0.43612 7.69231
119 3CH5 GDP 0.0000167 0.41087 7.69231
120 3WSJ MK1 0.00007975 0.41676 7.75862
121 4IAE 1DX 0.000254 0.40527 7.93651
122 3D2M COA 0.0001297 0.44279 8.10127
123 2FH5 GTP 0.000006776 0.43938 8.10811
124 3UC5 ATP 0.00002547 0.43885 8.28025
125 4TSK NDP 0.0001351 0.41856 8.57143
126 1LGT BP3 0.0005832 0.43203 8.75421
127 1O6B ADP 0.0001415 0.40712 8.87574
128 3UXL CFI 0.00001321 0.46677 8.87729
129 4NVP 7CH 0.000001922 0.43973 9.09091
130 3A2Y TS5 0.00457 0.41534 9.64467
131 2C9O ADP 0.00001354 0.45437 9.87342
132 3ZZS TRP 0.000023 0.41405 10.7692
133 3FPZ AHZ 0.0001302 0.43295 12.8834
134 4JTA NAP 0.0000303 0.44631 13.5135
135 1EDO NAP 0.0005818 0.40925 13.9344
136 1T26 NAI 0.0003131 0.42936 17.0807
137 1T26 GBD 0.0003131 0.42936 17.0807
138 4GQB 0XU 0.00001135 0.4431 22.7273
Pocket No.: 2; Query (leader) PDB : 3TI8; Ligand: LNV; Similar sites found: 20
This union binding pocket(no: 2) in the query (biounit: 3ti8.bio2) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3RO7 TDR 0.00003618 0.45729 1.50943
2 2R0N FAD 0.001978 0.40066 1.77665
3 1RM4 NDP 0.0002579 0.41276 1.78042
4 1A5Z NAD 0.000145 0.41006 1.88088
5 2NZ2 CIR 0.00001233 0.40195 2.02532
6 4G87 UD1 0.0002842 0.401 2.27848
7 3CXO 3LR 0.000008889 0.40966 2.53165
8 3OIG IMJ 0.000005414 0.42323 2.63158
9 3AIQ HBO 0.0002026 0.40316 2.78481
10 4LTN NAI 0.000262 0.40344 3.5533
11 2H6B 3C4 0.0003044 0.4074 3.6
12 4JP3 CIT 0.00005465 0.40036 3.76569
13 3NJQ NJQ 0.000006944 0.40779 4.66321
14 1GSA GSH 0.00005673 0.41361 5.37975
15 4KQL 1SG 0.00003351 0.4384 5.56962
16 2AMT GPP 0.01395 0.40004 5.66038
17 3VGL ANP 0.00003576 0.41241 7.16511
18 2NSJ C2R 0.0005814 0.41064 8.28402
19 1OTH PAO 0.00003551 0.40266 8.41121
20 1OFH ADP 0.0005085 0.40403 9.77011
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