Receptor
PDB id Resolution Class Description Source Keywords
4B7J 2.42 Å EC: 3.-.-.- H1N1 2009 PANDEMIC INFLUENZA VIRUS: RESISTANCE OF THE I223R NEURAMINIDASE MUTANT EXPLAINED BY KINETIC AND STRUCTURAL AN INFLUENZA A VIRUS HYDROLASE NEURAMINIDASE INHIBITOR NAI NAIS OSELTAMIVIR ZANAMIVIR ANTIVIRAL RESISTANCE IMMUNOCOMPROMISED H275Y
Ref.: H1N1 2009 PANDEMIC INFLUENZA VIRUS: RESISTANCE OF T NEURAMINIDASE MUTANT EXPLAINED BY KINETIC AND STRUC ANALYSIS PLOS PATHOG. V. 8 2914 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
5AX A:501;
A:511;
A:521;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
205.208 C8 H15 N O5 CC(=O...
CA A:701;
Part of Protein;
none;
submit data
40.078 Ca [Ca+2...
G39 A:1470;
Valid;
none;
Ki = 11.1 nM
284.351 C14 H24 N2 O4 CCC(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4B7J 2.42 Å EC: 3.-.-.- H1N1 2009 PANDEMIC INFLUENZA VIRUS: RESISTANCE OF THE I223R NEURAMINIDASE MUTANT EXPLAINED BY KINETIC AND STRUCTURAL AN INFLUENZA A VIRUS HYDROLASE NEURAMINIDASE INHIBITOR NAI NAIS OSELTAMIVIR ZANAMIVIR ANTIVIRAL RESISTANCE IMMUNOCOMPROMISED H275Y
Ref.: H1N1 2009 PANDEMIC INFLUENZA VIRUS: RESISTANCE OF T NEURAMINIDASE MUTANT EXPLAINED BY KINETIC AND STRUC ANALYSIS PLOS PATHOG. V. 8 2914 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 218 families.
1 4B7J Ki = 11.1 nM G39 C14 H24 N2 O4 CCC(CC)O[C....
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: G39; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 22N 1 1
2 G39 1 1
3 2H8 0.5 0.911111
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4B7J; Ligand: G39; Similar sites found: 312
This union binding pocket(no: 1) in the query (biounit: 4b7j.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2E1A MSE 0.0114 0.41296 None
2 4LIT AKG 0.02149 0.40984 1.0661
3 4C2G ALA ALA ALA ALA 0.006843 0.42249 1.12108
4 3O7B SAH 0.001077 0.42783 1.22951
5 1QW9 KHP 0.0002724 0.42487 1.27932
6 3NKS ACJ 0.002351 0.42351 1.27932
7 1WCQ DAN 0.001563 0.421 1.27932
8 1IZC PYR 0.00254 0.40372 1.47493
9 2GWD GLU 0.001581 0.44976 1.55902
10 1SAZ ACP 0.0024 0.4089 1.5748
11 1AUX AGS 0.006664 0.40254 1.60772
12 1JQ5 NAD 0.001166 0.43842 1.62162
13 1EUS DAN 0.001358 0.42107 1.64384
14 1V5F FAD 0.0001753 0.47127 1.70576
15 1V5F TPP 0.0001753 0.47127 1.70576
16 1GJW GLC 0.03276 0.41101 1.70576
17 1N6B DMZ 0.00004488 0.40859 1.70576
18 1OMZ UD2 0.00007335 0.43093 1.70648
19 3O03 NAP 0.001003 0.40947 1.71821
20 1U5R ATP 0.003092 0.41895 1.72414
21 2BO4 FLC 0.01686 0.42524 1.76322
22 1TV5 ORO 0.000911 0.43697 1.80587
23 1QO0 BMD 0.002898 0.45591 1.81818
24 1PEA ACM 0.009381 0.44425 1.81818
25 2Q3M MLA 0.006355 0.46037 1.84049
26 4USS GSH 0.02365 0.40345 1.84615
27 1F8F NAD 0.001329 0.4042 1.88679
28 2NLI FMN 0.000002132 0.48234 1.90217
29 2NLI LAC 0.000002132 0.48234 1.90217
30 4RJK PYR 0.0143 0.43493 1.91898
31 4WBD ADP 0.0115 0.43341 1.91898
32 4WBD CIT 0.0205 0.42694 1.91898
33 1FWY UD1 0.0001508 0.41228 1.91898
34 1UOU CMU 0.005959 0.41194 1.91898
35 1E2S CSN 0.00899 0.4049 1.91898
36 4OYA 1VE 0.007124 0.40303 1.91898
37 4N02 FNR 0.000003809 0.47729 1.96078
38 1E5F PLP 0.006273 0.40719 1.9802
39 4KCF AKM 0.0002249 0.42332 1.98238
40 2W24 LYS 0.0001937 0.4189 2
41 3TKA CTN 0.003216 0.4937 2.01729
42 3EJ0 11X 0.01069 0.42123 2.04082
43 4LHM AZZ 0.009683 0.42573 2.04545
44 3I0O ADP 0.002742 0.43445 2.0649
45 1Z44 NPO 0.0248 0.44409 2.07101
46 1Z42 FMN 0.008591 0.40962 2.07101
47 1Z48 FMN 0.007276 0.40472 2.07101
48 1Y9Q MED 0.01017 0.43015 2.08333
49 2WLT ASP 0.0003822 0.41023 2.10843
50 1Q3Q ANP 0.0000005275 0.50726 2.1322
51 2XDQ MGX 0.003362 0.47497 2.1322
52 1YBH FAD 0.00005754 0.46508 2.1322
53 4O8A 2OP 0.006425 0.46012 2.1322
54 2YP9 SIA CMO 0.001706 0.42669 2.1322
55 3DX5 DHB 0.01064 0.40993 2.1322
56 1NML CIT 0.01307 0.41492 2.14724
57 1Q11 TYE 0.02801 0.40017 2.15054
58 1OTH PAO 0.0001614 0.40635 2.18069
59 1LTH NAD 0.0004835 0.42056 2.19436
60 3VOZ 04A 0.000179 0.46105 2.22222
61 2Z9V PXM 0.02547 0.40202 2.29592
62 2VDJ HSE 0.02445 0.42302 2.32558
63 2TOH HBI 0.00003131 0.40828 2.33236
64 2YA8 G39 0.002819 0.43162 2.34542
65 1MS9 LAT 0.005115 0.41741 2.34542
66 4IXW IXW 0.01674 0.40577 2.3622
67 3NKT 1HN 0.0007187 0.40837 2.44565
68 4CMF PXG 0.001025 0.40409 2.48447
69 1FX8 BOG 0.003533 0.41282 2.4911
70 2GJ3 FAD 0.00008078 0.45498 2.5
71 1W0O DAN 0.00003472 0.51219 2.55864
72 3L24 GOA 0.003329 0.4752 2.55864
73 4IVG ANP 0.000004675 0.47239 2.55864
74 1ZFJ IMP 0.001205 0.4272 2.55864
75 4FUA PGH 0.0004794 0.41377 2.55864
76 2BGM NAJ 0.0009041 0.41081 2.55864
77 1J2Z SOG 0.008097 0.40114 2.55864
78 1A8S PPI 0.002865 0.43125 2.5641
79 2ORV 4TA 0.001587 0.40396 2.5641
80 3U1T MLI 0.000152 0.52518 2.589
81 3PNA CMP 0.005209 0.42757 2.5974
82 1RYI GOA 0.04093 0.4286 2.6178
83 4AF5 CIT 0.02233 0.41395 2.63158
84 2Q8M AMP 0.004136 0.42247 2.71084
85 2OWZ CIT 0.02228 0.41399 2.71084
86 1LDM OXM 0.0000242 0.51979 2.73556
87 2F2U M77 0.01045 0.41026 2.73632
88 3WN0 FUB 0.001527 0.41044 2.73973
89 3NFZ 3NF 0.006684 0.41403 2.75229
90 2Z5Y HRM 0.00005293 0.43545 2.77186
91 3QDT A2G GAL 0.01632 0.43199 2.7972
92 3QDY CBS 0.02007 0.42153 2.7972
93 3QDY A2G GAL 0.02819 0.41985 2.7972
94 2Y7G AAE 0.004933 0.41119 2.83688
95 2NZ2 ASP 0.000143 0.50155 2.90557
96 2NZ2 CIR 0.0001907 0.42607 2.90557
97 1WKL ADP 0.001018 0.42872 2.91971
98 1WKL ATP 0.001762 0.42007 2.91971
99 2GN2 C5P 0.00006297 0.47794 2.92398
100 3AYS CT3 0.01162 0.40833 2.92553
101 1FNZ A2G 0.002564 0.40359 2.95359
102 1KTC NGA 0.02137 0.40542 2.96296
103 3CL7 HYN 0.00001008 0.41976 2.98507
104 4Q3S X7A 0.0007077 0.41698 2.98507
105 4MOB ADP 0.0006381 0.4428 3.01205
106 4LTN FMN 0.0001948 0.41886 3.04569
107 4LTN NAI 0.0005077 0.41109 3.04569
108 3D2Y AH0 ALA FGA LYS 0.0036 0.4088 3.06513
109 3OVR 5SP 0.01714 0.40175 3.07018
110 1WVC CTP 0.00001807 0.47972 3.0888
111 1GSA ADP 0.00003601 0.44435 3.16456
112 1GSA GSH 0.00008741 0.42639 3.16456
113 2GGH NLQ 0.00006601 0.41121 3.2
114 3LTW HLZ 0.02544 0.41125 3.21429
115 1ML4 PAL 0.002498 0.40909 3.24675
116 2PP3 LGT 0.0007584 0.40607 3.26633
117 9LDT OXM 0.008836 0.4609 3.31325
118 4IU0 ABH 0.0003262 0.43377 3.33333
119 1FS5 TLA 0.0006114 0.40891 3.38346
120 1Z45 GAL 0.003726 0.43905 3.41151
121 1WRA PC 0.0165 0.42571 3.41151
122 2FR6 CTN 0.004962 0.40373 3.42466
123 2FR6 URI 0.006144 0.40035 3.42466
124 4N69 SER 0.0409 0.40137 3.4965
125 1B55 4IP 0.00263 0.42591 3.5503
126 1I9G SAM 0.0003267 0.4146 3.57143
127 2FGQ MLT 0.006908 0.4381 3.61446
128 3ZGE ASP 0.004495 0.46048 3.62473
129 1N1V DAN 0.005431 0.40028 3.62473
130 3I8T LBT 0.00002134 0.53799 3.65854
131 4K30 NLG 0.008655 0.41366 3.75
132 1MXI SAH 0.003832 0.40781 3.75
133 2Q1A 2KT 0.0001042 0.45047 3.75427
134 1Z6K OAA 0.002942 0.43078 3.75427
135 3DER ALA LYS 0.002089 0.41003 3.76812
136 2J5S KTA 0.000485 0.4404 3.80228
137 4NVP 7CH 0.00001727 0.42591 3.82775
138 1XX4 BAM 0.001418 0.46063 3.83795
139 1PX8 XYP 0.01285 0.4201 3.83795
140 4KCT PYR 0.01493 0.40792 3.83795
141 2X61 NGA GAL SIA 0.0001203 0.43693 3.87597
142 2X61 CH 0.00005472 0.42957 3.87597
143 3M0J OAF 0.00004112 0.43132 3.90879
144 1G8S MET 0.03992 0.40188 3.91304
145 1I2B NAD 0.00002262 0.49434 3.9604
146 1I2B UPG 0.00002262 0.49434 3.9604
147 1I2B USQ 0.00002262 0.49434 3.9604
148 2ZI8 SDT 0.000009638 0.45718 4
149 2IMP NAI 0.00008378 0.45589 4.05117
150 3GJB AKG 0.001914 0.4462 4.07523
151 1E4E PHY 0.009338 0.40056 4.08163
152 3UEC ALA ARG TPO LYS 0.04731 0.40306 4.10959
153 3B9Z CO2 0.02262 0.41368 4.12371
154 4QCK ASD 0.0007719 0.41066 4.14508
155 4M5P MLA 0.04981 0.41914 4.1769
156 1AX2 NDG GAL 0.001023 0.46384 4.1841
157 1OFH ADP 0.0004221 0.42151 4.19355
158 1MZV AMP 0.002072 0.43951 4.25532
159 1XIU REA 0.007193 0.4013 4.34783
160 3JQ3 ADP 0.0132 0.406 4.37158
161 1RYD GLC 0.02944 0.40822 4.39277
162 4A3R CIT 0.0000048 0.4529 4.4186
163 1T0S BML 0.005083 0.45777 4.47761
164 4HZO COA 0.02424 0.40297 4.47761
165 1Y7P RIP 0.01507 0.43376 4.4843
166 4P87 4NP 0.0001568 0.42868 4.48878
167 4CCO OGA 0.008825 0.42248 4.49679
168 1V6A TRE 0.01628 0.41539 4.51807
169 1SS4 GSH 0.01409 0.45885 4.57516
170 3VCA PRO 0.001663 0.45754 4.61165
171 4LO6 SIA GAL 0.0004818 0.50507 4.61894
172 3RK0 AMP 0.00958 0.4077 4.64135
173 3MMR ABH 0.0002014 0.42899 4.69083
174 4LCQ URQ 0.0002769 0.41434 4.69083
175 4A1O AMZ 0.00795 0.40849 4.69083
176 3K3G MMU 0.001429 0.46049 4.70588
177 4LKK SIA GAL 0.001482 0.42279 4.77707
178 2H6B 3C4 0.00009949 0.43755 4.8
179 4B16 NAG 0.004753 0.47574 4.88722
180 2BF6 SIA 0.003265 0.41801 4.90405
181 4WVH ASP HIS ASP ALA HIS ALA 0.0179 0.40452 4.90405
182 1NXJ GLV 0.001333 0.45293 4.91803
183 1NXJ TLA 0.00056 0.44494 4.91803
184 1EB9 HBA 0.01108 0.40513 4.96183
185 4G1V FAD 0.001913 0.42019 5.01253
186 3S9K CIT 0.00001781 0.63713 5.08475
187 3VGL BGC 0.00005066 0.43601 5.11727
188 2VW1 DAN 0.002609 0.43527 5.11727
189 3FSJ D7K 0.0006409 0.42284 5.11727
190 3VGL ANP 0.00008565 0.40152 5.11727
191 4GQB 0XU 0.00002839 0.45165 5.23256
192 2SIM DAN 0.005751 0.41053 5.24934
193 4COQ SAN 0.02041 0.41581 5.26316
194 3RO7 TDR 0.003883 0.41023 5.28302
195 3BHO B4P 0.03376 0.42861 5.28846
196 3CXO 1N5 0.000007994 0.43884 5.3012
197 3CXO 3LR 0.000005561 0.43832 5.3012
198 2JBH 5GP 0.009059 0.41726 5.33333
199 4A8H PUW 0.0002228 0.41225 5.35211
200 1F5F DHT 0.004442 0.40911 5.36585
201 2BLE 5GP 0.0004183 0.42245 5.44959
202 5D6C 57S 0.04817 0.41666 5.45455
203 4W6Z ETF 0.03762 0.41934 5.4755
204 3D3H M4O 0.008208 0.40271 5.5
205 2YLD CMO 0.0245 0.41202 5.51181
206 2YYJ FAD 0.0002655 0.44143 5.54371
207 2YYJ 4HP 0.0002655 0.44143 5.54371
208 1Z4V DAN 0.002821 0.42472 5.54371
209 3HPF GAE 0.00000444 0.44246 5.6266
210 3KYF 5GP 5GP 0.007533 0.41618 5.62771
211 2AMT GPP 0.006125 0.42798 5.66038
212 4PB2 5UD 0.001705 0.42059 5.66038
213 1O7N IND 0.001721 0.40943 5.6701
214 3O2K DST 0.01808 0.40866 5.75693
215 1YBQ BDH 0.00002134 0.4237 5.89744
216 1ONX ASP 0.0003358 0.41852 5.89744
217 1O6B ADP 0.0004085 0.41078 5.91716
218 2QCX PF1 0.006448 0.4338 6.08365
219 4L7I SAM 0.007197 0.40129 6.14251
220 1EDO NAP 0.00001208 0.47591 6.14754
221 2DTJ THR 0.0183 0.40007 6.17978
222 3OH3 UAD 0.009247 0.41928 6.18337
223 2ZO9 MLI 0.0007722 0.45458 6.20438
224 2QV7 ADP 0.001821 0.42775 6.23145
225 2OFD NGA 0.009388 0.4318 6.33803
226 2OFE NAG 0.03691 0.40352 6.33803
227 3PHQ KDO 0.02596 0.45113 6.45161
228 1B5E DCM 0.003091 0.43729 6.50407
229 1BTN I3P 0.007188 0.48346 6.60377
230 2Q37 3AL 0.0261 0.40595 6.62983
231 1ULE GLA GAL NAG 0.01094 0.44085 6.66667
232 4QDF 30Q 0.0001248 0.42986 6.66667
233 3EW2 BTN 0.004803 0.42908 6.66667
234 4QDC ASD 0.000359 0.41593 6.66667
235 4JP3 CIT 0.009304 0.40822 6.69456
236 3MAG 3MA 0.03109 0.43061 6.84039
237 2HMT NAI 0.0004545 0.41248 6.94444
238 5DRN 5CT 0.01464 0.44488 6.97674
239 3UXL CFI 0.0000009287 0.43446 7.04961
240 3FPZ AHZ 0.0002258 0.44235 7.05521
241 1MVQ MMA 0.0005025 0.40075 7.20339
242 1LL2 UPG 0.002455 0.4076 7.20721
243 2WL9 MBD 0.0001341 0.43846 7.21311
244 3NGU ADP 0.004152 0.41811 7.28477
245 1XE7 GUN 0.02852 0.42578 7.38916
246 1Y42 TYR 0.02496 0.40241 7.39796
247 3I51 45C 0.007889 0.41112 7.40741
248 4SLI CNP 0.005512 0.4137 7.46269
249 3NOJ PYR 0.003698 0.44196 7.56302
250 2IZ1 ATR 0.03492 0.40467 7.67591
251 4DN8 BMA 0.0001578 0.51547 7.69231
252 1X1T NAD 0.0004289 0.42961 7.69231
253 1RZM PEP 0.007801 0.42486 7.69231
254 1RZM E4P 0.01952 0.42212 7.69231
255 3BY8 MLT 0.02836 0.41411 7.74648
256 1QH9 LAC 0.0123 0.42625 7.75862
257 3OIG NAD 0.00002598 0.45869 7.89474
258 3OIG IMJ 0.000005056 0.44896 7.89474
259 2VQ5 HBA 0.01983 0.42179 7.9602
260 1JA9 NDP 0.00002676 0.46528 8.0292
261 1JA9 PYQ 0.000002721 0.44557 8.0292
262 2HVK TBA 0.002294 0.4607 8.06452
263 1A5Z OXM 0.0004309 0.51207 8.15047
264 4EKV BTN 0.0001898 0.40652 8.1761
265 1YRX FMN 0.006165 0.40748 8.26446
266 2PR5 FMN 0.0005718 0.4378 8.33333
267 4NTX AMR 0.01443 0.41535 8.33333
268 2QLX RM4 0.02727 0.41495 8.33333
269 3ZPG 5GP 0.03017 0.42447 8.37696
270 1T26 NAI 0.00003904 0.47428 8.38509
271 1T26 GBD 0.00003904 0.47428 8.38509
272 4AF0 MOA 0.0002419 0.43022 8.52878
273 3MB5 SAM 0.00001141 0.46108 8.62745
274 2BZ1 TAU 0.005244 0.48315 8.67347
275 1Y1A GSH 0.02813 0.44166 8.74317
276 2BOI MFU 0.012 0.41657 8.84956
277 1OGD RIP 0.02104 0.40572 9.16031
278 1H0C AOA 0.04014 0.40662 9.18367
279 1SQ5 PAU 0.007721 0.42505 9.41558
280 2WA4 069 0.006841 0.41363 9.45559
281 3P3N AKG 0.03478 0.40475 9.45559
282 4B7E OGA 0.02826 0.40435 9.45559
283 3KJQ B94 0.01436 0.40056 9.47368
284 2FH5 GTP 0.00000612 0.41076 9.72973
285 1UGX GAL MGC 0.0008078 0.40068 9.77444
286 1QR0 COA 0.01033 0.41046 10.0877
287 1Q3P GLU ALA GLN THR ARG LEU 0.01677 0.40575 10.0917
288 3SCH TB6 0.01864 0.41768 10.101
289 1JGS SAL 0.006383 0.47822 10.1449
290 2F59 INI 0.005451 0.40225 10.1911
291 3ZZS TRP 0.00003181 0.41914 10.7692
292 1JOT GAL A2G 0.001041 0.45193 11.2782
293 1FWE HAE 0.002446 0.44164 11.3208
294 4TSK NDP 0.0005679 0.41683 11.4286
295 2Y7P SAL 0.02734 0.40064 11.4679
296 4M7F BM3 0.0004534 0.47943 11.5044
297 1H2M OGA 0.03516 0.40452 11.5385
298 2Y6P CTP 0.01092 0.40945 11.9658
299 4HE2 AMP 0.0001734 0.41375 12.1302
300 1V7R CIT 0.04077 0.42402 12.3656
301 1Y0L HAN 0.02387 0.43701 12.8319
302 1N9L FMN 0.003811 0.4079 12.844
303 4IEN GDP 0.0003634 0.41087 12.8834
304 1H16 PYR 0.02345 0.42395 13.0064
305 1H8G CHT 0.01479 0.45713 13.6842
306 3P7I P7I 0.02588 0.40171 14.0187
307 4Q3F TLA 0.001573 0.46842 14.5299
308 1Y75 NAG 0.007181 0.42159 15.2542
309 3A2Y TS5 0.004849 0.40769 16.7513
310 4CCN OGA 0.005625 0.44232 17.1429
311 4AP9 1PS 0.003108 0.40751 22.3881
312 1UW1 ADP 0.02531 0.40657 23.75
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