Receptor
PDB id Resolution Class Description Source Keywords
4QN6 1.95 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF NEURAMINIDASE N6 COMPLEXED WITH LANINAM INFLUENZA A VIRUS (A/CHICKEN/NANCHANG/010/2000(H3N6)) 6-BLADED BETA-PROPELLER HYDROLASE CALCIUM BINDING GLYCOSY
Ref.: STRUCTURE OF INFLUENZA VIRUS N7: THE LAST PIECE OF NEURAMINIDASE "JIGSAW" PUZZLE J.VIROL. 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAG NAG BMA A:502;
B:502;
Invalid;
Invalid;
none;
none;
submit data
570.545 n/a O=C(N...
LNV A:511;
B:511;
Valid;
Valid;
none;
none;
submit data
346.336 C13 H22 N4 O7 [H]/N...
NAG NAG BMA MAN MAN MAN B:505;
A:505;
Invalid;
Invalid;
none;
none;
submit data n/a n/a n/a n/a
CA A:501;
B:501;
Part of Protein;
Part of Protein;
none;
none;
submit data
40.078 Ca [Ca+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4QN6 1.95 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF NEURAMINIDASE N6 COMPLEXED WITH LANINAM INFLUENZA A VIRUS (A/CHICKEN/NANCHANG/010/2000(H3N6)) 6-BLADED BETA-PROPELLER HYDROLASE CALCIUM BINDING GLYCOSY
Ref.: STRUCTURE OF INFLUENZA VIRUS N7: THE LAST PIECE OF NEURAMINIDASE "JIGSAW" PUZZLE J.VIROL. 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 250 families.
1 4QN6 - LNV C13 H22 N4 O7 [H]/N=C(N)....
70% Homology Family (35)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 21 families.
1 1F8E Ki = 15 uM 49A C11 H19 N3 O6 CC(=O)N[C@....
2 4MWW - G39 C14 H24 N2 O4 CCC(CC)O[C....
3 2QWG ic50 = 230 uM G28 C13 H23 N3 O5 CCN(CC)C(=....
4 1INY - EQP C10 H20 N O9 P CC(=O)N[C@....
5 1F8B Ki = 4 uM DAN C11 H17 N O8 CC(=O)N[C@....
6 1XOE ic50 = 41 nM ABX C14 H24 N2 O5 CC(C)C[C@@....
7 4MWX ic50 = 75.7 nM ZMR C12 H20 N4 O7 CC(=O)N[C@....
8 2QWC Ki = 280 uM DAN C11 H17 N O8 CC(=O)N[C@....
9 2QWJ ic50 = 0.23 uM G28 C13 H23 N3 O5 CCN(CC)C(=....
10 2QWI Ki = 2.16 uM G20 C14 H23 N5 O5 [H]/N=C(/N....
11 4MWY ic50 = 89.6 nM LNV C13 H22 N4 O7 [H]/N=C(N)....
12 1L7G - BCZ C15 H28 N4 O4 CCC(CC)[C@....
13 1BJI ic50 = 0.002 uM DPC C20 H27 N3 O5 CCCN(CCc1c....
14 1F8D Ki = 400 uM 9AM C11 H18 N2 O7 CC(=O)N[C@....
15 2QWE Ki = 0.033 uM GNA C12 H22 N4 O7 CC(=O)N[C@....
16 4MWQ ic50 = 0.79 nM G39 C14 H24 N2 O4 CCC(CC)O[C....
17 1NNC - ZMR C12 H20 N4 O7 CC(=O)N[C@....
18 4MX0 ic50 = 184.7 nM BCZ C15 H28 N4 O4 CCC(CC)[C@....
19 2QWB Ki = 1820 uM SIA C11 H19 N O9 CC(=O)N[C@....
20 2QWK ic50 = 0.002 uM G39 C14 H24 N2 O4 CCC(CC)O[C....
21 2QWF Ki = 2.16 uM G20 C14 H23 N5 O5 [H]/N=C(/N....
22 1MWE - SIA C11 H19 N O9 CC(=O)N[C@....
23 4MWR ic50 = 0.41 nM ZMR C12 H20 N4 O7 CC(=O)N[C@....
24 1L7F - BCZ C15 H28 N4 O4 CCC(CC)[C@....
25 1F8C Ki = 0.04 uM 4AM C11 H18 N2 O7 CC(=O)N[C@....
26 4MWU ic50 = 3.24 nM LNV C13 H22 N4 O7 [H]/N=C(N)....
27 5JYY - 6PY C16 H27 N5 O9 [H]/N=C(N)....
28 2QWD Ki = 14 uM 4AM C11 H18 N2 O7 CC(=O)N[C@....
29 2QWH ic50 = 13 uM G39 C14 H24 N2 O4 CCC(CC)O[C....
30 4WEG - DF4 C11 H16 F N O8 CC(=O)N[C@....
31 4MWV ic50 = 0.4 nM BCZ C15 H28 N4 O4 CCC(CC)[C@....
32 4DGR ic50 = 4.4 uM 3LV C20 H30 N2 O5 CCCN(CCC)C....
33 1L7H - BCZ C15 H28 N4 O4 CCC(CC)[C@....
34 4QN6 - LNV C13 H22 N4 O7 [H]/N=C(N)....
35 4QN7 ic50 = 0.84 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 : 4QN6; Ligand: LNV; Similar sites found: 224
This union binding pocket(no: 1) in the query (biounit: 4qn6.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2IZ1 ATR 0.003724 0.45541 0.767263
2 4KCT PYR 0.008481 0.42289 1.27877
3 4SLI CNP 0.003372 0.41345 1.27877
4 3WXL ADP 0.01076 0.4087 1.27877
5 2GGH NLQ 0.00000676 0.43354 1.33333
6 2HMT NAI 0.0001638 0.41394 1.38889
7 4FUA PGH 0.00004621 0.45082 1.39535
8 4MOB COA 0.00002242 0.42577 1.50602
9 3NFZ 3NF 0.01237 0.40749 1.52905
10 1XX4 BAM 0.001026 0.47193 1.53257
11 2Q09 DI6 0.001153 0.4606 1.53453
12 1TV5 ORO 0.001935 0.42944 1.53453
13 1TV5 N8E 0.004064 0.41149 1.53453
14 1YBQ BDH 0.00007431 0.417 1.53846
15 1ONX ASP 0.0009383 0.40983 1.53846
16 1H6W SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 0.0001889 0.41379 1.60256
17 1JQ5 NAD 0.001849 0.42254 1.62162
18 1DBT U5P 0.002543 0.41902 1.67364
19 4IMG NGF 0.004015 0.40818 1.70648
20 1YBH FAD 0.00002563 0.46317 1.79028
21 2Q8H TF4 0.01203 0.45002 1.79028
22 1KTC NGA 0.0121 0.42071 1.79028
23 2O2C G6Q 0.00411 0.41883 1.79028
24 1Z4V DAN 0.003479 0.40995 1.79028
25 4O8O AHR 0.001972 0.42762 1.82292
26 2QCX PF1 0.02116 0.41431 1.90114
27 1U5R ATP 0.006978 0.40988 2.01149
28 1JQN DCO 0.00001374 0.44344 2.04604
29 3SUC ATP 0.000006219 0.44002 2.04604
30 2VW1 DAN 0.001876 0.43292 2.04604
31 3MMR ABH 0.00008219 0.428 2.04604
32 1Z44 NPO 0.007273 0.4794 2.07101
33 1G7V PAI 0.00005446 0.41722 2.11268
34 2Y7G AAE 0.007295 0.40913 2.12766
35 2ZO9 MLI 0.00005245 0.50822 2.18978
36 1JA9 NDP 0.00002628 0.45245 2.18978
37 4LHM AZZ 0.01625 0.41965 2.27273
38 4RJK PYR 0.01101 0.46888 2.30179
39 1WCQ DAN 0.001066 0.46586 2.30179
40 2GN2 C5P 0.0002088 0.464 2.30179
41 4OYA 1VE 0.00005725 0.45893 2.30179
42 2ZWS PLM 0.0322 0.4415 2.30179
43 1QCA FUA 0.001189 0.40298 2.34742
44 3I0O ADP 0.01168 0.41255 2.35988
45 2SIM DAN 0.003253 0.42656 2.3622
46 2BJF DXC 0.0000343 0.40912 2.43161
47 1EUS DAN 0.001168 0.41118 2.46575
48 2BNF UTP 0.0001638 0.40366 2.48963
49 1ME8 RVP 0.0000242 0.45968 2.55754
50 2NZ2 CIR 0.000001121 0.43296 2.55754
51 2Z5Y HRM 0.0002355 0.42181 2.55754
52 1FA2 DOM 0.000008044 0.41686 2.55754
53 4G87 UD1 0.0002791 0.40621 2.55754
54 3WN0 FUB 0.003447 0.40367 2.55754
55 3FSJ D7K 0.001384 0.40317 2.55754
56 1P4C FMN 0.000006929 0.46725 2.63158
57 3OCZ SRA 0.002553 0.42282 2.67176
58 1X1T NAD 0.0000131 0.46276 2.69231
59 1FWY UD1 0.0002317 0.41256 2.71903
60 1GR0 NAD 0.0001014 0.43865 2.7248
61 3V91 UPG 0.00006154 0.42533 2.74914
62 2F2U M77 0.0006683 0.46504 2.8133
63 2YP9 SIA CMO 0.001291 0.43619 2.8133
64 2ADD SUC 0.007406 0.42355 2.8133
65 1BGV GLU 0.0000537 0.41109 2.8133
66 4TMK T5A 0.00007334 0.46057 2.8169
67 1RP0 AHZ 0.001318 0.40378 2.8169
68 3LTW HLZ 0.04089 0.40534 2.85714
69 2WLT ASP 0.0002535 0.42085 3.01205
70 1ZFJ IMP 0.00004816 0.46004 3.06905
71 4M5P MLA 0.02577 0.43925 3.06905
72 4M5P 23W 0.01562 0.43721 3.06905
73 3HPF GAE 0.00007621 0.40739 3.06905
74 4L7I SAM 0.007145 0.40586 3.06905
75 1LTH NAD 0.00001759 0.44431 3.1348
76 2RHW C0E 0.000009941 0.45914 3.18021
77 1FX8 BOG 0.0007157 0.44374 3.20285
78 1SQ5 PAU 0.03164 0.40183 3.24675
79 4HE2 AMP 0.000005294 0.42591 3.25444
80 2NLI FMN 0.00003231 0.43501 3.26087
81 2NLI LAC 0.00003231 0.43501 3.26087
82 3OH3 UAD 0.009127 0.41194 3.32481
83 2Z9V PXM 0.02441 0.40695 3.32481
84 2BH9 NAP 0.01062 0.40277 3.32481
85 1G6O ADP 0.0005927 0.40443 3.33333
86 3SHR CMP 0.007846 0.41987 3.34448
87 4NVP 7CH 0.00008553 0.40624 3.34928
88 2XZI KDM 0.00804 0.40636 3.36788
89 4CMF PXG 0.0003517 0.40699 3.41615
90 2WA4 069 0.00561 0.42164 3.4384
91 3HAZ FAD 0.0007772 0.40049 3.4965
92 1K27 MTM 0.0003685 0.40688 3.53357
93 4M51 BEZ 0.04982 0.41099 3.58056
94 1RM4 NDP 0.0004817 0.41025 3.58056
95 1EXB NDP 0.0004512 0.41851 3.61446
96 3UXL CFI 0.00007049 0.45138 3.65535
97 3O03 NAP 0.000108 0.42658 3.78007
98 4A8T PAO 0.00003405 0.44413 3.83481
99 1W0O DAN 0.00004373 0.48734 3.83632
100 1RZM PEP 0.001988 0.45592 3.84615
101 1RZM E4P 0.008406 0.44449 3.84615
102 4A38 BZS 0.02277 0.40017 3.86598
103 3Q3C NAD 0.0003722 0.40819 4.01338
104 3NKT 1HN 0.001864 0.40047 4.07609
105 1I2B USQ 0.00002867 0.47788 4.09207
106 1I2B NAD 0.00002867 0.47788 4.09207
107 1I2B UPG 0.00002867 0.47788 4.09207
108 1Q3Q ANP 0.00002421 0.44455 4.09207
109 1HV9 UD1 0.0001845 0.41534 4.09207
110 2GJ3 FAD 0.0003356 0.42494 4.16667
111 3KMT SAH 0.01506 0.4003 4.20168
112 1WVC CTP 0.0004523 0.42492 4.2471
113 2FH5 GTP 0.006266 0.4012 4.32432
114 1F1V DHY 0.009756 0.42024 4.33437
115 1V5F TPP 0.0002847 0.45317 4.34783
116 1V5F FAD 0.0002847 0.45317 4.34783
117 4CCO OGA 0.008786 0.42696 4.34783
118 2BF6 SIA 0.003119 0.40845 4.34783
119 1XE7 GUN 0.004411 0.47333 4.4335
120 1QZZ SAM 0.007993 0.41134 4.54545
121 4GQB 0XU 0.00004202 0.434 4.55259
122 4G1V FAD 0.0002415 0.43828 4.60358
123 1MS9 LAT 0.004298 0.41261 4.60358
124 4IVG ANP 0.0002219 0.4124 4.60358
125 1SAZ ACP 0.00099 0.41125 4.72441
126 4N02 FNR 0.000006453 0.45617 4.7619
127 3CF6 SP1 0.004914 0.41581 4.79042
128 2IYG FMN 0.004649 0.42499 4.83871
129 3IU9 T07 0.0000324 0.442 4.86111
130 2JBH 5GP 0.01323 0.41446 4.88889
131 2BLE 5GP 0.000007799 0.46017 4.90463
132 3BY8 MLT 0.00786 0.44594 4.92958
133 4Q3S X7A 0.0003223 0.42789 4.93506
134 1LNX URI 0.03409 0.40036 4.93827
135 1YRX FMN 0.007801 0.41176 4.95868
136 1I9G SAM 0.0002845 0.40547 5
137 3MB5 SAM 0.0001492 0.41705 5.09804
138 3PLN U5P 0.01145 0.4218 5.11509
139 1LDM NAD 0.00004923 0.44136 5.16717
140 2P2V CSF 0.00000795 0.45147 5.20833
141 3DGB MUC 0.005431 0.42222 5.2356
142 2WGC SIA GAL BGC 0.01678 0.45817 5.26316
143 1T26 NAI 0.0001183 0.44706 5.2795
144 1T26 GBD 0.0001183 0.44706 5.2795
145 1ULE GLA GAL NAG 0.01375 0.44007 5.33333
146 2IMP NAI 0.00001526 0.46554 5.37084
147 2PP3 LGT 0.000135 0.43439 5.37084
148 1GSA ADP 0.000004622 0.45544 5.37975
149 1GSA GSH 0.0001203 0.41082 5.37975
150 1SAY PYR 0.0002444 0.44724 5.54017
151 3QDT A2G GAL 0.04924 0.41126 5.59441
152 1K97 ASP 0.00002035 0.46334 5.6266
153 1K97 CIR 0.00002035 0.46334 5.6266
154 2YYJ FAD 0.001783 0.40616 5.6266
155 2YYJ 4HP 0.001783 0.40616 5.6266
156 3PIJ FRU 0.0193 0.40255 5.6266
157 1WKL ATP 0.001427 0.42829 5.83942
158 1WKL ADP 0.0000118 0.41782 5.83942
159 1A8S PPI 0.006716 0.42054 5.86081
160 3M0J OAF 0.00001359 0.41592 5.86319
161 3KPE TM3 0.01164 0.4317 5.88235
162 2YA8 G39 0.003097 0.41273 5.88235
163 2ET1 GLV 0.00002668 0.4189 5.97015
164 4COQ SAN 0.005835 0.44608 6.07287
165 2XDQ MGX 0.04755 0.41778 6.13811
166 1TFZ 869 0.004041 0.40808 6.13811
167 1OMZ UD2 0.0000477 0.42372 6.14334
168 1ZK4 AC0 0.0000607 0.44799 6.3745
169 1ZK4 NAP 0.0000607 0.44799 6.3745
170 2QLX RM4 0.03313 0.41479 6.48148
171 1PEA ACM 0.01875 0.4331 6.49351
172 1QO0 BMD 0.0382 0.40678 6.49351
173 1C1L GAL BGC 0.006687 0.44942 6.56934
174 3NGU ADP 0.00116 0.44484 6.62252
175 2R7K AMZ 0.0001136 0.44817 6.6482
176 2R7K ACP 0.0001136 0.44817 6.6482
177 4KCF AKM 0.00003648 0.43359 6.64962
178 1VQ2 DDN 0.00005851 0.43753 6.73575
179 3UEC ALA ARG TPO LYS 0.04987 0.40582 6.84932
180 2FR6 URI 0.006259 0.40455 6.84932
181 2JFV FLC 0.003197 0.45857 6.87285
182 4TSK NDP 0.0006329 0.40532 6.90537
183 1D09 PAL 0.00246 0.41202 7.18954
184 1RSD PSB 0.001901 0.43183 7.43802
185 2RDT 2RD 0.00001039 0.46224 7.49354
186 2RDT FMN 0.00001523 0.44811 7.49354
187 3VGL BGC 0.0001887 0.4247 7.78816
188 3VGL ANP 0.0001046 0.40733 7.78816
189 3NOJ PYR 0.00131 0.46711 7.98319
190 4K30 NLG 0.009475 0.42549 8.125
191 3MAG 3MA 0.01061 0.46084 8.14332
192 4C81 CDP 0.002765 0.41226 8.15217
193 1V6A TRE 0.01556 0.42052 8.18414
194 2XD9 XD9 0.001062 0.4325 8.38323
195 2WL9 MBD 0.001844 0.40669 8.52459
196 3RF4 FUN 0.01636 0.41481 8.62069
197 4AF0 IMP 0.0003257 0.40594 8.69565
198 3P7I P7I 0.01095 0.42266 8.72274
199 2X61 NGA GAL SIA 0.00007804 0.43048 9.30233
200 2X61 CH 0.00001831 0.42941 9.30233
201 3RO7 TDR 0.0003333 0.43405 9.43396
202 4IAE 1DX 0.0004135 0.40462 9.52381
203 1KW6 BPY 0.0008056 0.40556 9.58904
204 1NVV GNP 0.00001046 0.45259 9.63855
205 1NVU GTP 0.0000312 0.43955 9.63855
206 4PNO U5P 0.006015 0.41628 9.72222
207 3PHQ KDO 0.0131 0.46811 10.1382
208 3F81 STT 0.005827 0.46687 10.3825
209 43CA NPO 0.03975 0.43867 11.1111
210 1Y9Q MED 0.02665 0.41437 11.4583
211 1ZZ7 S0H 0.01224 0.42048 11.6162
212 4IEN GDP 0.001582 0.40124 11.6564
213 5DS8 GLY 5CT GLY ALA 0.02504 0.4266 11.7117
214 4JP3 CIT 0.00005832 0.40532 11.7155
215 1EDO NAP 0.0005461 0.41473 12.2951
216 1A5Z OXM 0.0001161 0.5465 13.1661
217 1BTN I3P 0.01138 0.46865 13.2075
218 1FNZ A2G 0.001038 0.42182 13.9241
219 1DXY NAD 0.0005461 0.42594 14.1141
220 4LTN FMN 0.00004351 0.42477 16.2437
221 2EB5 OXL 0.02083 0.41954 17.603
222 3OIG IMJ 0.000004389 0.43494 21.8045
223 3OIG NAD 0.00007526 0.43272 21.8045
224 1UGX GAL MGC 0.0001311 0.42945 23.3083
Pocket No.: 2; Query (leader) PDB : 4QN6; Ligand: LNV; Similar sites found: 68
This union binding pocket(no: 2) in the query (biounit: 4qn6.bio2) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1K6M AGS 0.005252 0.40073 1.02302
2 4KCT FDP 0.008802 0.41359 1.27877
3 3CXO 3LR 0.00002041 0.4047 1.27877
4 1BDB NAD 0.00009812 0.43759 1.44404
5 1TV5 A26 0.001814 0.41349 1.53453
6 1Q11 TYE 0.008364 0.42793 1.6129
7 1F8F NAD 0.00001658 0.44709 1.61725
8 2C5S AMP 0.002885 0.44328 1.79028
9 2Y7P SAL 0.03016 0.40278 1.83486
10 1XMV ADP 0.00004291 0.43273 1.96629
11 2ZI8 SDT 0.00002441 0.40656 2
12 2NCD ADP 0.008281 0.43325 2.04604
13 1Z41 FMN 0.005376 0.41429 2.07101
14 1JA9 PYQ 0.00002832 0.40448 2.18978
15 1DRV A3D 0.0001728 0.41332 2.1978
16 4A3R CIT 0.000002053 0.4463 2.30179
17 3DJL FAD 0.0019 0.40419 2.30179
18 2TOH HBI 0.000008881 0.40368 2.33236
19 3I0O SMI 0.02073 0.41472 2.35988
20 1WDA BAG 0.02431 0.40289 2.55754
21 1B63 ANP 0.004381 0.40033 2.7027
22 2C9O ADP 0.0001134 0.4213 2.8133
23 2PR5 FMN 0.0003702 0.44993 3.0303
24 1CR1 TTP 0.00155 0.40176 3.04054
25 3ZZS TRP 0.00002211 0.42106 3.07692
26 2JE7 XMM 0.000003191 0.42073 3.34728
27 3FPZ AHZ 0.0002582 0.42958 3.37423
28 3C2O NTM 0.001109 0.41671 3.40136
29 4FR3 0V4 0.000776 0.41105 3.4188
30 4F8L GAL 0.008481 0.47551 3.44828
31 4DEC 3PG 0.001027 0.4086 3.48837
32 4DEC UDP 0.001027 0.4086 3.48837
33 1Y42 TYR 0.01355 0.4185 3.58056
34 2BGM NAJ 0.0009191 0.40084 3.59712
35 4QCK ASD 0.0002368 0.43218 3.62694
36 4A8H PUW 0.00001063 0.41855 3.66197
37 1J2Z SOG 0.01072 0.40085 3.7037
38 4E28 9MZ 0.005633 0.44681 4.30769
39 4E28 0MZ 0.02915 0.40779 4.30769
40 4BPM GSH 0.001454 0.40691 4.49438
41 1PJ6 FOL 0.00001805 0.40544 4.60358
42 1OYB HBA 0.001821 0.4008 4.60358
43 1MVQ MMA 0.0001287 0.42296 4.66102
44 3A2Y TS5 0.004437 0.41372 5.07614
45 1CKM GTP 0.02013 0.40648 5.15152
46 4DA6 GA2 0.0006837 0.40272 5.5336
47 1OD6 PNS 0.0002856 0.41039 5.625
48 1O6B ADP 0.00007937 0.41906 5.6266
49 2QV7 ADP 0.005621 0.41354 5.63798
50 1ZJ6 G3D 0.01721 0.40157 6.41711
51 2Q37 3AL 0.01322 0.42381 6.62983
52 2FR6 CTN 0.004534 0.40974 6.84932
53 2YCD GTB 0.01059 0.41027 7.3913
54 1TUV VK3 0.02963 0.42895 7.89474
55 4PNI KQQ 0.002422 0.40281 8.18414
56 2WMO GTP 0.007284 0.41295 8.4399
57 1EYE PMM 0.004701 0.42479 9.28571
58 1B4P GPS 0.002872 0.41707 9.67742
59 1P1M MET 0.003439 0.40394 9.97442
60 3S9K CIT 0.04665 0.41576 10.1695
61 2E1A MSE 0.01668 0.41005 10.6667
62 1YOA FMN 0.01633 0.45885 10.6918
63 4IEN COA 0.0002514 0.40717 11.6564
64 1G8S MET 0.01273 0.42984 13.0435
65 1A5Z FBP 0.006073 0.4017 13.1661
66 4LTN NAI 0.000238 0.4096 16.2437
67 3K9W ADE 0.004429 0.40009 20.8556
68 3K9W 4PS 0.004429 0.40009 20.8556
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