Receptor
PDB id Resolution Class Description Source Keywords
4QN7 2.3 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF NEURAMNIDASE N7 COMPLEXED WITH OSELTAMI INFLUENZA A VIRUS (A/MALLARD/ALB/196/1996(H10N7)) 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...
G39 A:508;
B:508;
Valid;
Valid;
none;
none;
ic50 = 0.84 nM
284.351 C14 H24 N2 O4 CCC(C...
CA A:501;
B:501;
Part of Protein;
Part of Protein;
none;
none;
submit data
40.078 Ca [Ca+2...
NAG NAG A:506;
B:506;
Invalid;
Invalid;
none;
none;
submit data
408.404 n/a O=C(N...
NAG A:505;
B:505;
Invalid;
Invalid;
none;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4QN7 2.3 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF NEURAMNIDASE N7 COMPLEXED WITH OSELTAMI INFLUENZA A VIRUS (A/MALLARD/ALB/196/1996(H10N7)) 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 4QN7 ic50 = 0.84 nM G39 C14 H24 N2 O4 CCC(CC)O[C....
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: 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 : 4QN7; Ligand: G39; Similar sites found: 319
This union binding pocket(no: 1) in the query (biounit: 4qn7.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3S9K CIT 0.01606 0.45516 None
2 1PTR PRB 0.02085 0.42284 None
3 3PXP MYR 0.007645 0.40259 1.0274
4 1JCM 137 0.0006744 0.40561 1.1583
5 4QDF 30Q 0.00005928 0.44266 1.28205
6 4RJK PYR 0.01581 0.43488 1.28205
7 1V5F TPP 0.001675 0.43281 1.28205
8 1V5F FAD 0.001675 0.43281 1.28205
9 4QDC ASD 0.0002613 0.42288 1.28205
10 2NVK NAP 0.0149 0.41457 1.28205
11 1C7S CBS 0.009159 0.41074 1.28205
12 3CQ5 PMP 0.008208 0.42137 1.35501
13 1IZC PYR 0.001278 0.41632 1.47493
14 3OIG NAD 0.00007157 0.43923 1.50376
15 3OIG IMJ 0.0001014 0.40673 1.50376
16 1VCO GLN 0.0001338 0.43364 1.53846
17 1ZED PNP 0.01869 0.4252 1.53846
18 1TV5 A26 0.0009232 0.42113 1.53846
19 1MS9 LAT 0.00516 0.41305 1.53846
20 3QO8 SSA 0.005536 0.4116 1.53846
21 2W8Q SIN 0.03619 0.41092 1.53846
22 2YIV YIV 0.04812 0.40988 1.53846
23 3P7I P7I 0.006709 0.43005 1.55763
24 2GGH NLQ 0.000001954 0.44731 1.6
25 1Q11 TYE 0.008892 0.4246 1.6129
26 1F8F NAD 0.0001272 0.42843 1.61725
27 1I9G SAM 0.0004451 0.40538 1.78571
28 2NZ2 CIR 0.000009223 0.4697 1.79487
29 2NZ2 ASP 0.002569 0.44862 1.79487
30 2Q8H TF4 0.01917 0.43712 1.79487
31 4A3R CIT 0.00001327 0.4338 1.79487
32 3A1I UNU 0.006417 0.42138 1.79487
33 4WBD ADP 0.02353 0.42024 1.79487
34 4WBD CIT 0.03607 0.41639 1.79487
35 2F2U M77 0.01204 0.40989 1.79487
36 1Y42 TYR 0.01972 0.40911 1.79487
37 1Z4V DAN 0.005009 0.40844 1.79487
38 4Q3S X7A 0.0002726 0.42232 1.81818
39 3I8T LBT 0.0005198 0.47948 1.82927
40 2Q3M MLA 0.005541 0.46584 1.84049
41 3FPZ AHZ 0.00007139 0.45183 1.84049
42 4USS GSH 0.0214 0.40753 1.84615
43 2R5T ANP 0.001455 0.41797 1.87668
44 1ML4 PAL 0.0009543 0.42628 1.94805
45 1XMV ADP 0.0005157 0.40843 1.96629
46 2VDJ HSE 0.03204 0.41906 1.99336
47 3NNF AKG 0.0233 0.41518 2.03488
48 2YYJ 4HP 0.00004761 0.45856 2.05128
49 2YYJ FAD 0.00004761 0.45856 2.05128
50 4IVG ANP 0.0000163 0.44962 2.05128
51 1N6B DMZ 0.000003065 0.44173 2.05128
52 4CCN OGA 0.01278 0.42767 2.05128
53 2Z5Y HRM 0.000192 0.42182 2.05128
54 1WCQ DAN 0.001753 0.4128 2.05128
55 4QCK ASD 0.001156 0.40769 2.07254
56 3TFC PEP 0.003199 0.44438 2.07792
57 4JP3 CIT 0.007787 0.41362 2.09205
58 4N69 SER 0.04016 0.4038 2.0979
59 1X8X TYR 0.009409 0.4144 2.17391
60 1EUS DAN 0.001501 0.41477 2.19178
61 1QR0 COA 0.01292 0.4086 2.19298
62 1J2Z SOG 0.001693 0.42931 2.22222
63 1WRA PC 0.02575 0.41829 2.27273
64 3CL7 HYN 0.00001717 0.40124 2.27273
65 2J5S KTA 0.004264 0.40849 2.28137
66 4OYA 1VE 0.0001933 0.44832 2.30769
67 2VW1 DAN 0.00141 0.44303 2.30769
68 1Z45 GAL 0.003849 0.44081 2.30769
69 4DYO SD4 0.01148 0.41505 2.30769
70 3B9Z CO2 0.0006115 0.49039 2.31959
71 1O6B ADP 0.0005917 0.40095 2.36686
72 2H6B 3C4 0.0004312 0.41331 2.4
73 4NAO AKG 0.007452 0.44493 2.45399
74 4E28 9MZ 0.00889 0.43518 2.46154
75 4E28 0MZ 0.008744 0.43002 2.46154
76 1FX8 BOG 0.001897 0.42536 2.4911
77 4N02 FNR 0.000001573 0.48051 2.52101
78 2DVZ GLU 0.0159 0.4048 2.54777
79 3EJ0 11X 0.003784 0.44389 2.55102
80 2BO4 FLC 0.008778 0.44142 2.5641
81 4G1V FAD 0.0004668 0.43468 2.5641
82 3QV9 QV7 0.007259 0.43374 2.5641
83 2IZ1 ATR 0.01107 0.43064 2.5641
84 4IHQ ADP 0.01256 0.41337 2.5641
85 4TSK NDP 0.0009797 0.40478 2.57143
86 1RYD GLC 0.008844 0.43529 2.58398
87 3NJQ NJQ 0.0003588 0.42035 2.59067
88 1UF5 CDT 0.0151 0.40575 2.64026
89 4NM5 ADP 0.003257 0.40248 2.65252
90 1ULE GLA GAL NAG 0.01044 0.44412 2.66667
91 1WVC CTP 0.00001176 0.47854 2.7027
92 3NKT 1HN 0.0002478 0.42534 2.71739
93 2BLE 5GP 0.000096 0.43555 2.7248
94 1Z6K OAA 0.000657 0.46008 2.73038
95 2HMT NAI 0.00003242 0.43905 2.77778
96 3CH5 GDP 0.0001199 0.41477 2.77778
97 4I9A NCN 0.0006582 0.40592 2.77778
98 1R6W 164 0.01041 0.40099 2.79503
99 1Y2W NAG 0.01809 0.42045 2.8169
100 1W0O DAN 0.00004806 0.49556 2.82051
101 4KCT PYR 0.0007675 0.4658 2.82051
102 4PB2 5UD 0.0007503 0.43613 2.82051
103 1GJW GLC 0.01746 0.42666 2.82051
104 1GJW MAL 0.006192 0.42203 2.82051
105 4C2G ALA ALA ALA ALA 0.009699 0.41823 2.82051
106 1KTC NGA 0.01707 0.41193 2.82051
107 1C3V PDC 0.01017 0.42699 2.85714
108 4NVP 7CH 0.00001524 0.43222 2.87081
109 2BGM NAJ 0.0003063 0.41929 2.8777
110 1RZM E4P 0.02399 0.41981 2.95858
111 1RZM PEP 0.01695 0.41206 2.95858
112 2ZI8 SDT 0.000008547 0.46196 3
113 2FGQ MLT 0.0004829 0.49526 3.01205
114 4IU0 ABH 0.001267 0.41644 3.0303
115 1G8S MET 0.01074 0.43126 3.04348
116 1QW9 KHP 0.0003713 0.42336 3.07692
117 3ZZS TRP 0.00003341 0.4233 3.07692
118 3HPF GAE 0.00007911 0.4135 3.07692
119 4A38 BZS 0.01813 0.40621 3.09278
120 1A5Z OXM 0.000226 0.52904 3.1348
121 1LTH NAD 0.0001405 0.43076 3.1348
122 1A5Z FBP 0.0009284 0.42867 3.1348
123 1RYI GOA 0.0114 0.4669 3.14136
124 1GSA GSH 0.00003473 0.43109 3.16456
125 1GSA ADP 0.0002364 0.41503 3.16456
126 2GN2 C5P 0.00004403 0.48674 3.21637
127 2IYG FMN 0.009789 0.40956 3.22581
128 3K3G MMU 0.00246 0.45235 3.23529
129 1Z44 NPO 0.04433 0.43135 3.25444
130 1Z44 FMN 0.01248 0.40148 3.25444
131 1D09 PAL 0.001895 0.41992 3.26797
132 4TMK T5A 0.0004292 0.44191 3.28639
133 1V8K ANP 0.000003586 0.4645 3.33333
134 2PP3 LGT 0.00471 0.41831 3.33333
135 2WIC GNP 0.002644 0.40079 3.37079
136 1T26 GBD 0.0001328 0.45117 3.41615
137 1T26 NAI 0.0001328 0.45117 3.41615
138 1SQ5 PAU 0.005116 0.4353 3.57143
139 4WVH ASP HIS ASP ALA HIS ALA 0.01513 0.40986 3.58974
140 2WL9 MBD 0.0002773 0.43107 3.60656
141 2Q8M AMP 0.002861 0.43136 3.61446
142 2OWZ CIT 0.02088 0.41746 3.61446
143 3WUD GLC GAL 0.04251 0.41269 3.67647
144 1B4P GPS 0.002975 0.41422 3.68664
145 1EDO NAP 0.00004256 0.45259 3.68852
146 4FUA PGH 0.001254 0.40348 3.72093
147 4CMF PXG 0.00008047 0.43015 3.72671
148 1DUC DUD 0.003645 0.40573 3.73134
149 2ZWS PLM 0.008301 0.4739 3.84615
150 3ZGE ASP 0.005985 0.45648 3.84615
151 1OYB FMN 0.002062 0.40594 3.84615
152 4U9W COA 0.006516 0.40005 3.86473
153 2X61 NGA GAL SIA 0.00009193 0.4343 3.87597
154 2X61 CH 0.00004334 0.42591 3.87597
155 2RCN GDP 0.003659 0.43162 3.91061
156 4MOB ADP 0.0001125 0.4741 3.91566
157 4AP9 1PS 0.000168 0.45518 3.9801
158 2VQ5 LDP 0.03975 0.4201 3.9801
159 2VQ5 HBA 0.04325 0.40704 3.9801
160 4M7F BM3 0.0003665 0.48623 3.9823
161 2JBH 5GP 0.004174 0.43406 4
162 3Q3C NAD 0.0004623 0.41068 4.01338
163 3GJB AKG 0.01812 0.40645 4.07523
164 3VCA PRO 0.002015 0.45627 4.10256
165 2IMP NAI 0.000215 0.43731 4.10256
166 1I2B NAD 0.002996 0.41856 4.10256
167 1I2B UPG 0.002996 0.41856 4.10256
168 1I2B USQ 0.002996 0.41856 4.10256
169 3V1V GST 0.004564 0.41103 4.10256
170 1K6M AGS 0.004367 0.40132 4.10256
171 2GJ3 FAD 0.0000412 0.45762 4.16667
172 1NVU GTP 0.0000108 0.45896 4.21687
173 3MB5 SAM 0.00005342 0.43515 4.31373
174 4W6Z ETF 0.01938 0.43687 4.32277
175 1XIU REA 0.003983 0.41325 4.34783
176 1Q3Q ANP 0.000001376 0.48671 4.35897
177 1YBH P22 0.0001147 0.42167 4.35897
178 1OTH PAO 0.0001171 0.40258 4.36137
179 3F81 STT 0.007524 0.45878 4.37158
180 1NXJ TLA 0.003588 0.41689 4.37158
181 1NXJ GLV 0.02239 0.40244 4.37158
182 3O03 NAP 0.0002967 0.41969 4.46735
183 2EB5 OXL 0.004721 0.44826 4.49438
184 1PX8 XYP 0.004991 0.44123 4.61538
185 4LIT AKG 0.02812 0.40655 4.61538
186 3WN0 FUB 0.003054 0.40053 4.61538
187 3NOJ PYR 0.006503 0.43325 4.62185
188 2Y6P CTP 0.007636 0.41821 4.70085
189 4F8L GAL 0.03312 0.43882 4.82759
190 1ZFJ IMP 0.0002724 0.44255 4.87179
191 4A8H PUW 0.0001723 0.41824 4.87179
192 1USR DAN 0.005661 0.4022 4.87179
193 3DG6 MUC 0.007634 0.40998 4.90463
194 4B9E FAH 0.03048 0.41464 4.98339
195 2HFK E4H 0.01048 0.42141 5.01567
196 2AMT GPP 0.00851 0.41709 5.03145
197 2QV7 ADP 0.001573 0.43269 5.04451
198 1ZZ7 S0H 0.0113 0.41994 5.05051
199 3SCH TB6 0.03034 0.40967 5.05051
200 3E5H GNP 0.001762 0.40499 5.05618
201 1FNZ A2G 0.0000841 0.45653 5.06329
202 2BZ1 TAU 0.006269 0.48098 5.10204
203 1WKL ADP 0.0001934 0.45769 5.10949
204 1WKL ATP 0.000389 0.44658 5.10949
205 1A8S PPI 0.0008295 0.4559 5.12821
206 4AF0 MOA 0.0008809 0.41477 5.12821
207 2WVZ KIF 0.004361 0.40949 5.12821
208 1LDM OXM 0.00005642 0.5075 5.16717
209 4LO6 SIA GAL 0.0008657 0.49502 5.26316
210 3L02 SN0 0.0004294 0.40246 5.29248
211 3L02 CP 0.0004294 0.40246 5.29248
212 43CA NPO 0.01555 0.45805 5.30973
213 4UAL 3FV 0.008927 0.40005 5.38462
214 3W54 RNB 0.0129 0.40091 5.47112
215 1JA9 NDP 0.000003316 0.48547 5.47445
216 4EXO PYR 0.02777 0.42228 5.47945
217 3KJQ B94 0.007901 0.41337 5.4878
218 1NML CIT 0.007177 0.42875 5.52147
219 3M0J OAF 0.0001032 0.42298 5.53746
220 4PNO U5P 0.0002404 0.46949 5.55556
221 1ONX ASP 0.0001081 0.43652 5.64103
222 1JQN DCO 0.0002256 0.40728 5.64103
223 1YBQ BDH 0.0001422 0.40684 5.64103
224 1EYE PMM 0.002716 0.43228 5.71429
225 4B7E OGA 0.01157 0.4244 5.73066
226 2WA4 069 0.01034 0.40859 5.73066
227 4IMG NGF 0.004148 0.40543 5.80205
228 3KMT SAH 0.004257 0.42005 5.88235
229 2P69 PLP 0.02521 0.40876 5.88235
230 4G28 0W8 0.02122 0.40346 5.88235
231 4SLI CNP 0.005936 0.4081 5.89744
232 1JQ5 NAD 0.002838 0.42087 5.94595
233 1PEA ACM 0.002588 0.47507 5.97403
234 1GU3 BGC BGC BGC BGC BGC 0.0239 0.40537 6.04027
235 1XX4 BAM 0.0001216 0.51133 6.13027
236 4C25 13P 0.0005765 0.40763 6.13208
237 2YA8 G39 0.003178 0.42477 6.15385
238 3BK2 U5P 0.007854 0.41347 6.15385
239 2GWD GLU 0.02397 0.40116 6.15385
240 1NU4 MLA 0.007142 0.42398 6.18557
241 1SJW NGV 0.00008248 0.40631 6.25
242 1UW1 ADP 0.03487 0.40219 6.25
243 1JN2 SFP 0.002 0.43306 6.32911
244 3L24 GOA 0.002866 0.48105 6.41026
245 1T0S BML 0.01023 0.44457 6.41026
246 3MMR ABH 0.0002574 0.4284 6.41026
247 1H8P PC 0.01875 0.43764 6.42202
248 1Q3P GLU ALA GLN THR ARG LEU 0.02486 0.40046 6.42202
249 3MAG 3MA 0.0193 0.44428 6.51466
250 9LDT OXM 0.007994 0.46557 6.62651
251 3CI3 3PO 0.0008288 0.40295 6.70103
252 3CI3 5AD 0.0008288 0.40295 6.70103
253 3BHO B4P 0.03582 0.42923 6.73077
254 3MCT 3MC 0.001641 0.45728 6.73401
255 3VGL BGC 0.0002221 0.41994 6.85358
256 3VGL ANP 0.00006716 0.40823 6.85358
257 4K30 NLG 0.01011 0.42211 6.875
258 3K9W ADE 0.004268 0.40462 6.95187
259 3K9W 4PS 0.004268 0.40462 6.95187
260 2V5E SCR 0.015 0.45037 7
261 4O8O AHR 0.002249 0.42943 7.03125
262 1B5E DCM 0.01724 0.40739 7.31707
263 5A2J ALA PRO ASP THR ARG PRO 0.01133 0.44571 7.37705
264 2SIM DAN 0.00412 0.41955 7.61155
265 4COQ SAN 0.02814 0.41125 7.69231
266 3LTW HLZ 0.008814 0.43536 7.85714
267 1FS5 TLA 0.0003773 0.41799 7.89474
268 4AF5 CIT 0.03437 0.40706 7.89474
269 1FWE HAE 0.01351 0.41198 8
270 2HVK TBA 0.005607 0.44471 8.06452
271 2FH5 GTP 0.00001154 0.40798 8.10811
272 1QO0 BMD 0.009592 0.43361 8.16327
273 2BF6 SIA 0.005465 0.40383 8.20513
274 2JFV FLC 0.01948 0.41891 8.24742
275 1B55 4IP 0.001429 0.43883 8.28402
276 1DXY COI 0.02716 0.42901 8.40841
277 2OFE NAG 0.01621 0.42273 8.4507
278 1Y75 NAG 0.003369 0.43808 8.47458
279 1BTN I3P 0.01875 0.4553 8.49057
280 3PHQ KDO 0.001905 0.5195 8.75576
281 1F7K UMP 0.001514 0.40875 8.82353
282 1UQX MMA 0.0000135 0.4059 8.84956
283 1OMZ UD2 0.0001918 0.41329 8.87372
284 2ZO9 MLI 0.0001561 0.48584 9.12409
285 1OGD RIP 0.00823 0.4261 9.16031
286 4NTX AMR 0.001018 0.46966 9.2437
287 2NLI FMN 0.00002294 0.44545 9.51087
288 2NLI LAC 0.00002294 0.44545 9.51087
289 1JH7 UVC 0.02849 0.40628 9.52381
290 1O7N IND 0.0006436 0.42646 9.79381
291 1YRX FMN 0.004879 0.4177 9.91736
292 3DGB MUC 0.01103 0.40744 9.94764
293 2YP9 SIA CMO 0.008817 0.40199 10
294 4LKK SIA GAL 0.001856 0.42173 10.119
295 3PMA SCR 0.01142 0.41975 10.3448
296 2FWP CIT 0.00005127 0.40821 10.3825
297 1C1L GAL BGC 0.02706 0.41721 10.9489
298 3QDY CBS 0.003133 0.46345 11.1888
299 3QDT A2G GAL 0.01024 0.44454 11.1888
300 3R51 MMA 0.02587 0.43015 11.25
301 4P9Z NMI PTR 02K ASN NH2 0.02548 0.40411 11.9658
302 1JGS SAL 0.001121 0.52429 12.3188
303 1Y7P RIP 0.01532 0.4239 12.5561
304 1H2M OGA 0.0293 0.4104 13.4615
305 1P72 THM 0.01773 0.41119 13.4731
306 4Q3F TLA 0.003644 0.4536 13.6752
307 3GM5 CIT 0.03231 0.40836 14.4654
308 3NGU ADP 0.003618 0.42285 15.894
309 3DX5 DHB 0.01214 0.40973 16.4336
310 2FR6 CTN 0.002985 0.41416 16.4384
311 2FOI JPA 0.01154 0.41066 16.6667
312 1H2K OGA 0.04275 0.40248 17.0732
313 2PFC PLM 0.01223 0.4056 17.4863
314 3KPE TM3 0.001096 0.47837 17.9487
315 4DN8 BMA 0.0003555 0.50157 19.2308
316 4GQB 0XU 0.00003715 0.44166 22.7273
317 1JAC AMG 0.01556 0.44949 35
318 1JOT GAL A2G 0.0003617 0.47372 40
319 4CCO OGA 0.01333 0.41674 40
Pocket No.: 2; Query (leader) PDB : 4QN7; Ligand: G39; Similar sites found: 88
This union binding pocket(no: 2) in the query (biounit: 4qn7.bio2) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1TV5 ORO 0.001007 0.43789 1.53846
2 4BPM GSH 0.001558 0.40358 1.68539
3 1GPJ CIT 0.02004 0.41832 1.79487
4 1HV9 UD1 0.0002575 0.40865 1.79487
5 3OH3 UAD 0.008705 0.41662 2.05128
6 1S8F GDP 0.01092 0.4038 2.25989
7 2Y7P SAL 0.01683 0.4122 2.29358
8 4HA6 PXM 0.0132 0.42177 2.30769
9 1UOU CMU 0.003982 0.4212 2.30769
10 2ZX7 ZX7 0.0006894 0.40093 2.30769
11 1T3D CYS 0.0419 0.40773 2.42215
12 4C6F DOR 0.008579 0.41609 2.5641
13 4C6F NCD 0.008579 0.41609 2.5641
14 3TKA CTN 0.0004329 0.55802 2.59366
15 2OHV NHL 0.0115 0.41502 2.65152
16 4WX0 HXD 0.005885 0.41057 2.6616
17 1FBL HTA 0.01674 0.40386 2.7027
18 4KCT FDP 0.008416 0.41225 2.82051
19 1O9U ADZ 0.01744 0.43931 2.85714
20 1U5R ATP 0.008678 0.40405 2.87356
21 3W8S GSH 0.007045 0.43434 2.91262
22 1EB9 HBA 0.01657 0.4002 3.05344
23 4IEN GDP 0.0007114 0.40953 3.06748
24 4IEN COA 0.0003416 0.40096 3.06748
25 2P2V CSF 0.000001591 0.41116 3.125
26 3VOZ 04A 0.003483 0.41544 3.1746
27 2TOH HBI 0.0004351 0.42472 3.207
28 1O68 KIV 0.02158 0.40736 3.27273
29 2ZJ5 ADP 0.01407 0.42049 3.33333
30 4LHM AZZ 0.01617 0.4177 3.33333
31 2JE7 XMM 0.00004156 0.40317 3.34728
32 3UEC ALA ARG TPO LYS 0.0433 0.40701 3.42466
33 2W3L DRO 0.03674 0.42194 3.47222
34 4HE2 AMP 0.00001396 0.4477 3.5503
35 3A2Y TS5 0.004234 0.41225 3.5533
36 3GTD MLI 0.03646 0.40129 3.58974
37 2DWU DGL 0.01796 0.40661 3.62319
38 1N9L FMN 0.00127 0.42777 3.66972
39 3SHR CMP 0.007571 0.41837 3.67893
40 5D63 FUC GLA GLA 0.03756 0.4052 4.09556
41 3T2W BTN 0.009056 0.4151 4.09836
42 3CXO 3LR 0.000005507 0.43091 4.10256
43 3MTW M3R 0.004783 0.41405 4.10256
44 3ZPG 5GP 0.02495 0.43099 4.18848
45 1MVQ MMA 0.0006497 0.40024 4.23729
46 4KCF AKM 0.0001458 0.42291 4.35897
47 1KYV RBF 0.008528 0.4008 4.40252
48 1XVA SAM 0.003235 0.4093 4.45205
49 1CKM GTP 0.02333 0.40167 4.54545
50 2HV8 GTP 0.0002615 0.4319 4.65116
51 1I1Q TRP 0.02389 0.40122 4.6875
52 4QVH FLC 0.02567 0.44693 4.87179
53 2F59 INI 0.005901 0.40331 5.09554
54 4CML 52N 0.001171 0.40288 5.11182
55 3PNA CMP 0.01767 0.40692 5.19481
56 3I0O ADP 0.01009 0.41313 5.30973
57 3I51 45C 0.009738 0.40966 5.55556
58 2JC9 ADN 0.01389 0.41594 5.64103
59 1WDA BAG 0.02391 0.4012 5.64103
60 1A5V Y3 0.009778 0.42778 5.6962
61 3U1T MLI 0.0003352 0.51115 5.82524
62 2Y7G AAE 0.009472 0.40257 6.02837
63 2Q37 3AL 0.02772 0.40684 6.07735
64 1P1M MET 0.00172 0.41193 6.15385
65 2DTJ THR 0.008008 0.41734 6.17978
66 4N7C AEF 0.0187 0.42519 6.25
67 1I0Z OXM 0.01901 0.43731 6.60661
68 1EYQ NAR 0.0205 0.40411 6.75676
69 2ET1 GLV 0.00005071 0.40919 6.96517
70 1Y9Q MED 0.01734 0.42133 7.29167
71 4HZO COA 0.005217 0.43492 7.54717
72 2BJF DXC 0.000000609 0.44278 7.59878
73 1XE7 GUN 0.03824 0.421 7.88177
74 1SC3 MLI 0.02384 0.4257 7.95455
75 1UGX GAL MGC 0.0004841 0.40989 8.27068
76 1LYX PGA 0.0136 0.4 8.46774
77 3RF4 FUN 0.02672 0.40319 8.62069
78 1OFH ADP 0.0007799 0.40844 9.77011
79 1Y1A GSH 0.03197 0.43967 10.3825
80 1Q6O LG6 0.003422 0.41966 10.6481
81 2ORV 4TA 0.002279 0.40135 11.1111
82 3QDY A2G GAL 0.01196 0.4411 11.1888
83 2BOI MFU 0.02703 0.40296 11.5044
84 2QCX PF1 0.03178 0.40407 11.7871
85 3EW2 BTN 0.006289 0.42637 11.8519
86 2VAR KDF 0.005739 0.41903 13.4185
87 2VAR KDG 0.01611 0.40071 13.4185
88 2YLD CMO 0.03562 0.40631 14.9606
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