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Receptor
PDB id Resolution Class Description Source Keywords
4BBH 1.63 Å EC: 2.3.1.97 PLASMODIUM VIVAX N-MYRISTOYLTRANSFERASE WITH A BOUND BENZOTHIOPHENE INHIBITOR PLASMODIUM VIVAX TRANSFERASE MYRISTOYLATION MALARIA INHIBITOR
Ref.: DISCOVERY OF NOVEL AND LIGAND-EFFICIENT INHIBITORS PLASMODIUM FALCIPARUM AND PLASMODIUM VIVAX N-MYRISTOYLTRANSFERASE. J.MED.CHEM. V. 56 371 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:1412;
B:1411;
C:1411;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
35.453 Cl [Cl-]
DMS A:999;
B:999;
C:999;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
78.133 C2 H6 O S CS(=O...
MG A:1413;
B:1412;
C:1412;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
NHW A:1000;
B:1000;
C:1000;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
991.916 C36 H64 N7 O17 P3 S CCCCC...
SO4 A:1411;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
YBN A:1001;
B:1001;
C:1001;
Valid;
Valid;
Valid;
none;
none;
none;
Ki = 0.08 uM
397.487 C22 H23 N O4 S COc1c...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2YNE 1.72 Å EC: 2.3.1.97 PLASMODIUM VIVAX N-MYRISTOYLTRANSFERASE IN COMPLEX WITH A BENZOTHIOPHENE INHIBITOR PLASMODIUM VIVAX TRANSFERASE MYRISTOYLATION MALARIA
Ref.: VALIDATION OF N-MYRISTOYLTRANSFERASE AS AN ANTIMALA TARGET USING AN INTEGRATED CHEMICAL BIOLOGY APPROAC NAT.CHEM. V. 6 112 2014
Members (16)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 4CAF Ki = 75 nM 370 C21 H23 N5 O2 S Cc1c(c(n[n....
2 4B10 - NHW C36 H64 N7 O17 P3 S CCCCCCCCCC....
3 4BBH Ki = 0.08 uM YBN C22 H23 N O4 S COc1cccc(c....
4 2YND Ki = 32 nM 646 C21 H24 Cl2 N6 O2 S Cc1c(c(n(n....
5 5G22 Ki = 0.1 uM YN4 C25 H27 N5 O3 S CCOC(=O)c1....
6 4B11 ic50 = 2.3 uM 7I1 C26 H26 N2 O3 Cc1c2c(ccc....
7 4CAE Ki = 18 nM 3F3 C23 H23 N3 O3 S COc1cccc(c....
8 5O48 - NHW C36 H64 N7 O17 P3 S CCCCCCCCCC....
9 4B12 ic50 = 10.2 uM C23 C23 H25 N O3 Cc1c2c(ccc....
10 5O4V - NHW C36 H64 N7 O17 P3 S CCCCCCCCCC....
11 5G1Z Ki = 4.7 uM U53 C16 H16 N2 O3 S CCOC(=O)c1....
12 2YNE Ki = 2.7 nM YNE C22 H25 N5 O2 S Cc1c(c(n(n....
13 4B13 ic50 = 2 uM X25 C23 H23 N3 O3 Cc1c2c(ccc....
14 4A95 ic50 = 2.9 uM 9MT C18 H22 N2 O S CCCCc1c(nc....
15 4B14 ic50 = 0.6 uM 4XB C23 H25 N O5 Cc1c2c(ccc....
16 4C68 - EN5 C27 H53 N5 O4 C1CCC(CC1)....
70% Homology Family (23)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 4CAF Ki = 75 nM 370 C21 H23 N5 O2 S Cc1c(c(n[n....
2 4B10 - NHW C36 H64 N7 O17 P3 S CCCCCCCCCC....
3 4BBH Ki = 0.08 uM YBN C22 H23 N O4 S COc1cccc(c....
4 2YND Ki = 32 nM 646 C21 H24 Cl2 N6 O2 S Cc1c(c(n(n....
5 5G22 Ki = 0.1 uM YN4 C25 H27 N5 O3 S CCOC(=O)c1....
6 4B11 ic50 = 2.3 uM 7I1 C26 H26 N2 O3 Cc1c2c(ccc....
7 4CAE Ki = 18 nM 3F3 C23 H23 N3 O3 S COc1cccc(c....
8 5O48 - NHW C36 H64 N7 O17 P3 S CCCCCCCCCC....
9 4B12 ic50 = 10.2 uM C23 C23 H25 N O3 Cc1c2c(ccc....
10 5O4V - NHW C36 H64 N7 O17 P3 S CCCCCCCCCC....
11 5G1Z Ki = 4.7 uM U53 C16 H16 N2 O3 S CCOC(=O)c1....
12 2YNE Ki = 2.7 nM YNE C22 H25 N5 O2 S Cc1c(c(n(n....
13 4B13 ic50 = 2 uM X25 C23 H23 N3 O3 Cc1c2c(ccc....
14 4A95 ic50 = 2.9 uM 9MT C18 H22 N2 O S CCCCc1c(nc....
15 4B14 ic50 = 0.6 uM 4XB C23 H25 N O5 Cc1c2c(ccc....
16 4C68 - EN5 C27 H53 N5 O4 C1CCC(CC1)....
17 4C2X - NHW C36 H64 N7 O17 P3 S CCCCCCCCCC....
18 5O6H ic50 = 0.013 uM 9M2 C24 H28 F N5 O Cc1c(c(n(n....
19 5O9V - GLY GLY CYS PHE SER LYS PRO LYS MYR n/a n/a
20 5O9U - GLY CYS SER VAL SER LYS LYS LYS MYR n/a n/a
21 5O6J ic50 = 4.6 nM 9M8 C25 H30 F N5 O Cc1c(c(n(n....
22 5O9T - 1IP CYS PHE SER LYS PRO ARG n/a n/a
23 5MU6 Kd < 210 pM KFK C25 H29 F2 N5 O Cc1c(c(n(n....
50% Homology Family (65)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4CAF Ki = 75 nM 370 C21 H23 N5 O2 S Cc1c(c(n[n....
2 4B10 - NHW C36 H64 N7 O17 P3 S CCCCCCCCCC....
3 4BBH Ki = 0.08 uM YBN C22 H23 N O4 S COc1cccc(c....
4 2YND Ki = 32 nM 646 C21 H24 Cl2 N6 O2 S Cc1c(c(n(n....
5 5G22 Ki = 0.1 uM YN4 C25 H27 N5 O3 S CCOC(=O)c1....
6 4B11 ic50 = 2.3 uM 7I1 C26 H26 N2 O3 Cc1c2c(ccc....
7 4CAE Ki = 18 nM 3F3 C23 H23 N3 O3 S COc1cccc(c....
8 5O48 - NHW C36 H64 N7 O17 P3 S CCCCCCCCCC....
9 4B12 ic50 = 10.2 uM C23 C23 H25 N O3 Cc1c2c(ccc....
10 5O4V - NHW C36 H64 N7 O17 P3 S CCCCCCCCCC....
11 5G1Z Ki = 4.7 uM U53 C16 H16 N2 O3 S CCOC(=O)c1....
12 2YNE Ki = 2.7 nM YNE C22 H25 N5 O2 S Cc1c(c(n(n....
13 4B13 ic50 = 2 uM X25 C23 H23 N3 O3 Cc1c2c(ccc....
14 4A95 ic50 = 2.9 uM 9MT C18 H22 N2 O S CCCCc1c(nc....
15 4B14 ic50 = 0.6 uM 4XB C23 H25 N O5 Cc1c2c(ccc....
16 4C68 - EN5 C27 H53 N5 O4 C1CCC(CC1)....
17 5AG5 - DLR C17 H15 N3 O S c1ccc(cc1)....
18 4CYO Ki = 1.6 nM UEK C29 H30 Cl2 F N3 O3 c1cc(ccc1C....
19 2WSA Kd = 1 nM 646 C21 H24 Cl2 N6 O2 S Cc1c(c(n(n....
20 4A2Z - MYA C35 H62 N7 O17 P3 S CCCCCCCCCC....
21 4UCP Kd = 200 uM 9X3 C13 H20 N2 O CNCc1cccc(....
22 4A33 - PS8 C21 H24 Cl2 N6 O2 S Cc1c(c(n(n....
23 4CYP - A62 C21 H23 Cl2 N O3 c1cc(ccc1C....
24 4UCM Kd = 180 uM X6W C12 H15 N3 CNCc1cc(nn....
25 5G21 - YN4 C25 H27 N5 O3 S CCOC(=O)c1....
26 6GNS - F65 C30 H43 N3 O4 S CN1CCC(CC1....
27 4CYQ Ki = 59 nM YAU C29 H29 Cl2 F N2 O4 c1cc(ccc1C....
28 4CGP - MYA C35 H62 N7 O17 P3 S CCCCCCCCCC....
29 6GNT - F5Q C29 H38 N4 O2 S CN1CCC(CC1....
30 2WUU ic50 = 68.7 nM NHW C36 H64 N7 O17 P3 S CCCCCCCCCC....
31 5AG6 - 5PE C16 H16 N2 O3 S COc1cc(ccc....
32 4CGL ic50 = 0.031 uM A6K C21 H24 Cl2 N2 O2 c1cc(ccc1C....
33 5AGE - M9M C23 H31 N3 O3 Cc1cc(no1)....
34 6GNU - MYA C35 H62 N7 O17 P3 S CCCCCCCCCC....
35 5A27 Ki = 0.02 uM TUT C21 H24 Cl N3 O3 [H]/N=C(Cc....
36 4A32 - MYA C35 H62 N7 O17 P3 S CCCCCCCCCC....
37 4C7H - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
38 4UCN - JRB C10 H15 N3 c1ccc(c(c1....
39 4C7I - JJ1 C27 H52 N4 O5 C1CCC(CC1)....
40 6GNV - MYA C35 H62 N7 O17 P3 S CCCCCCCCCC....
41 4CGN ic50 = 0.55 uM 7AH C21 H22 F N3 O c1cc(ccc1C....
42 5AG4 - MYA C35 H62 N7 O17 P3 S CCCCCCCCCC....
43 5G20 - QBY C23 H24 N2 O3 S CCSc1c2cc(....
44 4A30 - MYA C35 H62 N7 O17 P3 S CCCCCCCCCC....
45 4CGM ic50 = 1.02 uM CWZ C27 H28 N4 S c1cc(cc(c1....
46 4A31 - MYA C35 H62 N7 O17 P3 S CCCCCCCCCC....
47 5A28 Ki = 0.01 uM TUQ C20 H24 Cl N5 O2 Cc1c(c(n(n....
48 4CGO ic50 = 0.299 uM 6KV C17 H24 N6 S CN1CCC(CC1....
49 4CYN Ki = 1406 nM A6M C21 H24 Cl2 N2 O2 c1cc(ccc1C....
50 6GNH - F4T C21 H26 N2 O5 S COc1ccc(cc....
51 4C2X - NHW C36 H64 N7 O17 P3 S CCCCCCCCCC....
52 4QBJ - 2XQ C25 H23 F3 N2 O3 Cc1c(oc2c1....
53 4UWJ - 7L5 C21 H28 Cl2 F2 N4 O2 S Cc1c(c(n(n....
54 4UWI - MYA C35 H62 N7 O17 P3 S CCCCCCCCCC....
55 1IIC - MYA C35 H62 N7 O17 P3 S CCCCCCCCCC....
56 1IID - NHM C36 H64 N7 O17 P3 S CCCCCCCCCC....
57 1IYK Ki = 0.25 uM MIM C33 H52 N6 O4 Cc1nccn1CC....
58 4C2Y - MYA C35 H62 N7 O17 P3 S CCCCCCCCCC....
59 4C2Z ic50 = 17 nM 646 C21 H24 Cl2 N6 O2 S Cc1c(c(n(n....
60 5O6H ic50 = 0.013 uM 9M2 C24 H28 F N5 O Cc1c(c(n(n....
61 5O9V - GLY GLY CYS PHE SER LYS PRO LYS MYR n/a n/a
62 5O9U - GLY CYS SER VAL SER LYS LYS LYS MYR n/a n/a
63 5O6J ic50 = 4.6 nM 9M8 C25 H30 F N5 O Cc1c(c(n(n....
64 5O9T - 1IP CYS PHE SER LYS PRO ARG n/a n/a
65 5MU6 Kd < 210 pM KFK C25 H29 F2 N5 O Cc1c(c(n(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NHW; Similar ligands found: 128
No: Ligand ECFP6 Tc MDL keys Tc
1 UOQ 1 1
2 NHW 1 1
3 NHM 1 1
4 SOP 0.849624 0.977528
5 0ET 0.842857 1
6 CMC 0.82963 0.955556
7 ST9 0.822695 0.977778
8 DCC 0.822695 0.977778
9 UCC 0.822695 0.977778
10 MFK 0.822695 0.977778
11 MYA 0.822695 0.977778
12 5F9 0.822695 0.977778
13 CO8 0.815603 0.977778
14 COF 0.8 0.934783
15 CAO 0.798507 0.923913
16 A1S 0.791367 0.977528
17 HXC 0.788732 0.977778
18 MRR 0.787671 0.977778
19 MRS 0.787671 0.977778
20 CS8 0.786207 0.988889
21 COS 0.785185 0.934066
22 HDC 0.780822 0.977778
23 8Z2 0.777027 0.967033
24 0T1 0.776119 0.955056
25 HFQ 0.77551 0.934783
26 3CP 0.774648 0.955556
27 ACO 0.773723 0.966667
28 4CO 0.772414 0.945055
29 0FQ 0.772414 0.955556
30 2CP 0.767606 0.966667
31 01A 0.767123 0.914894
32 IVC 0.765957 0.944444
33 BCO 0.765957 0.955556
34 1VU 0.764286 0.966667
35 3KK 0.76259 0.955556
36 FYN 0.76259 0.955056
37 DCA 0.761194 0.955056
38 30N 0.759124 0.876289
39 2MC 0.758865 0.914894
40 COK 0.757143 0.934066
41 OXK 0.757143 0.934066
42 4CA 0.756944 0.945055
43 MC4 0.755245 0.905263
44 3HC 0.753521 0.944444
45 CO6 0.751773 0.955556
46 COA 0.75 0.955056
47 SCD 0.746479 0.933333
48 AMX 0.746377 0.94382
49 NHQ 0.743421 0.966292
50 CIC 0.741497 0.955556
51 MLC 0.741259 0.934066
52 1HE 0.741259 0.956044
53 CMX 0.741007 0.933333
54 HGG 0.737931 0.934066
55 COW 0.737931 0.923913
56 MCA 0.736111 0.945055
57 COO 0.736111 0.934066
58 CAA 0.736111 0.944444
59 ETB 0.735294 0.922222
60 TGC 0.734694 0.945055
61 CAJ 0.734266 0.955556
62 MCD 0.732394 0.955556
63 SCA 0.731034 0.934066
64 HAX 0.730496 0.913043
65 2NE 0.72973 0.913979
66 01K 0.729032 0.977528
67 SCO 0.728571 0.933333
68 GRA 0.727891 0.934066
69 NMX 0.727273 0.865979
70 IRC 0.726027 0.944444
71 2KQ 0.726027 0.956044
72 1GZ 0.726027 0.923913
73 BYC 0.726027 0.934066
74 YNC 0.723684 0.923913
75 FCX 0.723404 0.903226
76 FAM 0.723404 0.913043
77 FAQ 0.721088 0.934066
78 BCA 0.721088 0.923913
79 CA6 0.72028 0.907216
80 COT 0.713376 0.955556
81 1CZ 0.706667 0.923913
82 CA8 0.702703 0.85
83 CA3 0.69375 0.955556
84 WCA 0.69281 0.913979
85 1CV 0.69281 0.934066
86 YE1 0.689189 0.923077
87 4KX 0.688312 0.904255
88 S0N 0.684211 0.913043
89 CA5 0.682927 0.914894
90 DAK 0.679487 0.924731
91 1HA 0.679245 0.913979
92 93M 0.678571 0.945055
93 93P 0.668675 0.945055
94 F8G 0.660494 0.915789
95 7L1 0.657534 0.966667
96 CCQ 0.651613 0.935484
97 CO7 0.633987 0.934066
98 PLM COA 0.632911 0.945055
99 COA PLM 0.632911 0.945055
100 UCA 0.629412 0.956044
101 COD 0.611111 0.94382
102 OXT 0.584699 0.915789
103 4BN 0.578378 0.915789
104 5TW 0.578378 0.915789
105 ASP ASP ASP ILE CMC NH2 0.574713 0.934066
106 JBT 0.563158 0.896907
107 HMG 0.551515 0.902174
108 BSJ 0.548387 0.924731
109 ACE SER ASP ALY THR NH2 COA 0.521053 0.934066
110 PAP 0.503759 0.775281
111 UOC COA 0.484277 0.766667
112 SFC 0.47191 0.934783
113 RFC 0.47191 0.934783
114 191 0.470588 0.868687
115 PPS 0.460432 0.721649
116 0WD 0.459119 0.755319
117 1ZZ 0.458904 0.866667
118 A3P 0.458647 0.764045
119 OMR 0.442308 0.877778
120 PUA 0.419162 0.784946
121 A22 0.417808 0.777778
122 MYR AMP 0.417219 0.846154
123 3AM 0.413534 0.752809
124 PTJ 0.410596 0.833333
125 ATR 0.408451 0.764045
126 5SV 0.405405 0.853933
127 YLB 0.403727 0.888889
128 A2R 0.401361 0.777778
Ligand no: 2; Ligand: YBN; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 YBN 1 1
2 3F3 0.495238 0.742424
3 4XB 0.475728 0.890909
4 TUT 0.40367 0.641791
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2YNE; Ligand: YNE; Similar sites found with APoc: 397
This union binding pocket(no: 1) in the query (biounit: 2yne.bio2) has 79 residues
No: Leader PDB Ligand Sequence Similarity
1 5X80 SAL None
2 5CLO NS8 None
3 4WG0 CHD None
4 5FPX GLY SER SER HIS HIS HIS HIS HIS None
5 3A16 PXO 1.07239
6 2AWN ADP 1.31234
7 4PPF FLC 1.42857
8 4CSD MFU 1.47059
9 6A0S NDP 1.50602
10 5DXT 5H5 1.5625
11 5L2R MLA 1.5625
12 4S3F 43W 1.5625
13 2WSI FAD 1.63399
14 3BP1 GUN 1.72414
15 1IA9 ANP 1.78571
16 1Y7P RIP 1.79372
17 1UUY PPI 1.79641
18 5GK9 ACO 1.81159
19 5KJW 53C 1.82292
20 2NSX IFM 1.82292
21 1YKD CMP 1.82292
22 5HV7 RBL 1.82292
23 4IE6 UN9 1.82292
24 3E70 GDP 1.82927
25 1N4K I3P 1.83727
26 3NZ1 3NY 1.91571
27 3ZZH ARG 1.9544
28 3UDG TMP 1.99336
29 5FIT AP2 2.04082
30 3D2M COA 2.08333
31 5JPH COA 2.08333
32 5TSH ADP 2.08333
33 3BJC WAN 2.08333
34 2XIQ MLC 2.08333
35 5GLT BGC GAL NAG GAL 2.11268
36 4KBA 1QM 2.1148
37 3LN9 FLC 2.15827
38 2Y65 ADP 2.19178
39 5IUY BOG 2.20751
40 4D52 GXL 2.22222
41 4D52 GIV 2.22222
42 3N0Y APC 2.23464
43 2FUE M1P 2.29008
44 2WA4 069 2.29226
45 2VZZ SCA 2.29358
46 3SHZ 5CO 2.30548
47 1G6H ADP 2.33463
48 2Z3U CRR 2.34375
49 5OLK DTP 2.34375
50 1M0W ANP 2.34375
51 5IM3 DTP 2.34375
52 5CKW ANP 2.34375
53 4WCX MET 2.34375
54 4P7X AKG 2.39726
55 4P7X YCP 2.39726
56 2D2F ADP 2.4
57 6GQM F8H 2.43902
58 3H9A PPY 2.46914
59 3VPD BUA 2.4911
60 4B5P ACO 2.5
61 4H6U ACO 2.5
62 4BG4 ADP 2.52809
63 5EO8 TFU 2.57235
64 1LSH PLD 2.60417
65 1U0J ADP 2.62172
66 3R96 AMP 2.65957
67 3R96 ACO 2.65957
68 3PP0 03Q 2.66272
69 3KC1 2T6 2.67062
70 1B0U ATP 2.67176
71 1N5S ADL 2.67857
72 4OAG ADP 2.68657
73 4AVB ACO 2.7027
74 6BA2 7KM 2.71186
75 1MFD GLA MMA ABE 2.73973
76 4WZ6 ATP 2.75862
77 3FW4 CAQ 2.80899
78 2YKL NLD 2.83019
79 1R6N 434 2.8436
80 6E1Q CFA 2.86458
81 5L6G XYP 2.86458
82 4BTV RB3 2.90698
83 5C3R HMU 2.91545
84 5C3R AKG 2.91545
85 6G9I CXX 2.97619
86 5XJ7 87O 2.98507
87 2ZW5 COA 2.99003
88 5YX4 HCC 3.01724
89 5YSN 5AD 3.05085
90 2G30 ALA ALA PHE 3.10078
91 1EB1 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 3.11284
92 3EPO MP5 3.125
93 1AV5 AP2 3.1746
94 5TZO 7V7 3.19149
95 2P4S DIH 3.21716
96 1GXU 2HP 3.2967
97 4KFU ACP 3.30189
98 4R2I ANP 3.33333
99 1K3A ACP 3.34448
100 5H2U 1N1 3.37079
101 4MRP GSH 3.38542
102 4DOO DAO 3.41463
103 2ZPA ACO 3.42772
104 3ZW2 NAG GAL FUC 3.44828
105 2JEV NHQ 3.44828
106 3ZW2 GLA NAG GAL FUC 3.44828
107 3ZW0 FUC 3.44828
108 5IFK HPA 3.52564
109 2FB3 GTP 3.52941
110 2WPX ACO 3.53982
111 2WPW ACO 3.53982
112 5W75 SUC 3.64583
113 2X1L MET 3.64583
114 4OFJ HIS 3.64583
115 5KF9 ACO 3.65854
116 5KF9 COA 3.65854
117 5KF9 NAG 3.65854
118 1ZX5 LFR 3.66667
119 1Q6O LG6 3.7037
120 3WV6 GAL BGC 3.71622
121 2ZR9 DTP 3.72493
122 1A78 TDG 3.73134
123 1JI0 ATP 3.75
124 3JU6 ANP 3.78378
125 1QIN GIP 3.82514
126 4YGF AZM 3.84615
127 1TIQ COA 3.88889
128 4Y24 TD2 3.8961
129 5TVJ COA 3.90625
130 5VRH OLB 3.90625
131 5TVJ 7LF 3.90625
132 2ZFN ACO 3.90625
133 4ZS4 ATP 3.90879
134 5I8T LAC 3.91061
135 6GVZ CHO 3.93443
136 2HRL SIA GAL SIA BGC NGA CEQ 3.93701
137 2VDF OCT 3.95257
138 1V0C ACO 3.9604
139 1V0C KNC 3.9604
140 1OXV ANP 3.96601
141 1QFT HSM 4
142 5OO5 UUA 4.03226
143 5EJL C2E 4.03226
144 6FA4 D1W 4.04624
145 2ZHL NAG GAL GAL NAG 4.05405
146 1BC5 ACE ASN TRP GLU THR PHE 4.08922
147 2B4D COA 4.09357
148 4LED XXR 4.10448
149 3WR7 COA 4.11765
150 1SDW IYT 4.14013
151 4QAC KK3 4.14747
152 2BCG GER 4.16667
153 3FC2 IBI 4.16667
154 1EQ2 NAP 4.19355
155 4XPL ACO 4.29448
156 4AFH L0B 4.34783
157 3PDT ADP 4.36364
158 4K30 NLG 4.375
159 1WWZ ACO 4.40252
160 3B9Z CO2 4.42708
161 2BS5 BGC GAL FUC 4.44444
162 6F7X MFU 4.44444
163 3B6R ADP 4.46194
164 1VRP ADP 4.46194
165 5TA6 79D 4.46927
166 1L5Y BEF 4.51613
167 5LX9 OLB 4.56026
168 5H5A 6OU 4.58333
169 5YGE ACO 4.5977
170 5YGE GLU 4.5977
171 3KP6 SAL 4.63576
172 6B21 C9V 4.6875
173 4CJN QNZ 4.6875
174 5LRT ADP 4.6875
175 5FYR INS 4.69799
176 5HGZ ACO 4.93827
177 1ELI PYC 4.94792
178 1SO2 666 4.94792
179 2XN3 ID8 4.95627
180 5W7B MYR 4.96454
181 1M4I KAN 4.97238
182 1M4I COA 4.97238
183 1M4I PAP 4.97238
184 3VV1 GAL FUC 5
185 2OG2 MLI 5.01393
186 6BR9 6OU 5.01393
187 2GWH PCI 5.03356
188 3TE4 ACO 5.11628
189 4LIT AKG 5.20833
190 2Z48 NGA 5.20833
191 5MHB PBG 5.24691
192 4NSQ COA 5.26316
193 3LF0 ATP 5.26316
194 2QTR NXX 5.29101
195 5XXS COA 5.30303
196 4U9W COA 5.31401
197 2CM4 RCL 5.33333
198 2JEN GLC GLC BGC XYS BGC XYS 5.36398
199 5W8E SXZ 5.42986
200 5W8E ADE 5.42986
201 1BHX ASP PHE GLU GLU ILE 5.44218
202 3CXO 1N5 5.46875
203 2CBZ ATP 5.48523
204 1S7N COA 5.49451
205 4KOT CE3 5.55556
206 4WVW SLT 5.55556
207 1YRE COA 5.58376
208 5LWY OLB 5.60748
209 2CNT COA 5.625
210 5H4S RAM 5.6338
211 3CH8 PRO GLN PRO VAL ASP SER TRP VAL 5.64103
212 3GM5 CIT 5.66038
213 4I6H 1C8 5.72917
214 5OSW DIU 5.72917
215 6EZ6 C5Z 5.72917
216 1BOB ACO 5.9375
217 5H86 BCO 5.95238
218 1CM0 COA 5.95238
219 1QXA GLY GLY GLY 5.95745
220 4NOS ITU 5.98958
221 4PSW COA 5.99369
222 5HH0 COA 6
223 2CIX CEJ 6.02007
224 2VBQ BSJ 6.06061
225 4INI AMP 6.15385
226 1MJJ HAL 6.1674
227 6CZI 38E 6.25
228 4OFG PCG 6.25
229 1QY1 PRZ 6.32184
230 3GNE FLC 6.34921
231 5F6U 5VK 6.36943
232 4KVX ACO 6.41026
233 1KJ1 MAN 6.42202
234 2B4B COA 6.43275
235 5JSP DQY 6.46766
236 1JJ7 ADP 6.53846
237 4J25 OGA 6.55022
238 5KBE IPH 6.55022
239 1A27 EST 6.57439
240 5DYO FLU 6.60377
241 6EDV COA 6.70103
242 3N1S 5GP 6.72269
243 2J9D ADP 6.72269
244 3WG3 A2G GAL NAG FUC 6.74157
245 6HDT BTN 6.76692
246 5H9Y BGC BGC BGC BGC BGC 6.77083
247 5H9Y BGC BGC BGC BGC 6.77083
248 5M6N 7H9 6.77966
249 1I1D COA 6.8323
250 1I1D 16G 6.8323
251 2VSS ACO 6.88406
252 3UW5 MAA CHG PRO 0DQ 6.89655
253 1XE7 GUN 6.89655
254 4OGQ 7PH 6.90691
255 2VSU ACO 6.90909
256 2HKA C3S 6.92308
257 4MTI 2DX 6.95652
258 4O9S 2RY 6.97674
259 3R9V DXC 6.99301
260 5Z5I XYP 7.03125
261 6BMS PLM 7.03812
262 5OCA 9QZ 7.14286
263 5J75 6GQ 7.19697
264 5AIG VPR 7.2
265 5ACM MBT 7.20721
266 1NU4 MLA 7.2165
267 4K55 H6P 7.25806
268 3TAY MN0 7.36196
269 3T4L ZEA 7.40741
270 3EW2 BTN 7.40741
271 2PZE ATP 7.42358
272 2CDO GAL AAL GAL AAL GAL AAL 7.5
273 4NS0 PIO 7.5188
274 4B0T ADP 7.55208
275 1GP6 QUE 7.58427
276 1GP6 DH2 7.58427
277 1GP6 SIN 7.58427
278 3TO7 COA 7.6087
279 4XMF HSM 7.6087
280 1TV5 N8E 7.67494
281 4WOE ADP 7.8125
282 3H7J PPY 7.81893
283 4QC6 30N 7.82123
284 3KO0 TFP 7.92079
285 5EPQ OLA 7.92683
286 5COU ATP 7.94118
287 3NV3 GAL NAG MAN 7.97101
288 4RF7 ARG 8.07292
289 1KUV CA5 8.21256
290 5K04 COA 8.23529
291 3ZJ0 ACO 8.25243
292 4QYN RTL 8.27068
293 1VMK GUN 8.30325
294 5T7I LAT NAG GAL 8.3871
295 5FVJ ACO 8.43373
296 5C1M OLC 8.44595
297 1MEX RAC 8.4507
298 6G96 ACO 8.52273
299 3A6T 8OG 8.52713
300 3UW4 MAA CHG PRO 0DQ 8.69565
301 3M3E GAL A2G NPO 8.69565
302 2YG2 S1P 8.72093
303 1ERB ETR 8.74317
304 1GT4 UNA 8.80503
305 2Q4V ACO 8.82353
306 6GNO XDI 8.88889
307 4MA6 28E 8.9172
308 6DZN AE3 8.92019
309 1U6R ADP 8.94737
310 4YFB PAC 8.98876
311 5H9Q TD2 9.03226
312 2R0H CTO 9.14634
313 5FU3 BGC BGC BGC 9.43396
314 5Y4R C2E 9.52381
315 5URY PAM 9.58904
316 1OFZ FUC 9.61539
317 4RI1 ACO 9.67742
318 5FLJ QUE 9.67742
319 4OIT MAN 9.73451
320 3FAL REA 9.77444
321 3RGA LSB 9.89399
322 6EK3 OUL 9.95475
323 5XLY C2E 9.96441
324 4R57 ACO 10.2273
325 1KGI T4A 10.2362
326 1CJW COT 10.241
327 2HJ3 FAD 10.4
328 3P2H NOO 10.4478
329 1RV1 IMZ 10.5882
330 4NTO 1PW 10.628
331 4WGF HX2 10.7317
332 5MJA 7O3 10.8197
333 4M6T SAM 10.929
334 3SXN COA 10.9375
335 2XG5 EC2 10.9827
336 2XG5 EC5 10.9827
337 3SCH TB6 11.1111
338 2RDG NDG FUC SIA GAL 11.2245
339 1WW5 SGA BGC 11.25
340 4XIZ LPP 11.4286
341 2Z77 HE7 11.5108
342 4RT1 C2E 11.6071
343 2IL4 COA 11.6505
344 1F5F DHT 11.7073
345 6FOF LAT 11.7347
346 6E2B PT7 11.8421
347 6GMR F4K 11.8644
348 5C8W PCG 11.8881
349 1NWW HPN 12.0805
350 4IPH 1FJ 12.1951
351 1PUA COA 12.2699
352 1QSN COA 12.3457
353 1Q2D COA 12.3457
354 1QSR ACO 12.3457
355 1Q2C COA 12.3457
356 5NCF 8T5 12.3894
357 1ZZ7 S0H 12.6263
358 5H9P TD2 12.6582
359 3CM2 X23 13.0769
360 3SAO NKN 13.125
361 3H55 GLA 13.2812
362 5AZC PGT 13.3333
363 5TFZ 7BC 13.3333
364 2JDC CAO 13.6986
365 3K9U ACO 13.8365
366 4U00 ADP 14.3443
367 5ODY 9SK 14.4928
368 4WN5 MVC 14.7826
369 1BO4 COA 14.881
370 1OPB RET 14.9254
371 3MYZ TFX 15
372 1GHE ACO 15.2542
373 1OGX EQU 15.2672
374 1DZK PRZ 15.2866
375 5OCG 9R5 15.3439
376 3DC4 ADP 15.407
377 1N71 COA 16.1111
378 3ZXE PGZ 16.5414
379 2GMH UQ5 16.9271
380 2KIN ADP 18
381 4UA3 COA 18.0412
382 6BU0 IHP 18.3206
383 5KWY C3S 18.797
384 5LS7 ACO 18.9781
385 4CRZ ACO 18.9781
386 1QSM ACO 19.0789
387 4AG9 COA 20.6061
388 4AG9 16G 20.6061
389 1SU2 ATP 22.0126
390 1HBK MYR 22.4719
391 5ZCO CHD 23.913
392 5W97 CHD 23.913
393 3STD MQ0 25.4545
394 2FT0 ACO 25.5319
395 3ZIA ADP 26.2295
396 1UO5 PIH 26.4706
397 3F8K COA 28.75
Pocket No.: 2; Query (leader) PDB : 2YNE; Ligand: NHW; Similar sites found with APoc: 397
This union binding pocket(no: 2) in the query (biounit: 2yne.bio2) has 79 residues
No: Leader PDB Ligand Sequence Similarity
1 5X80 SAL None
2 5CLO NS8 None
3 4WG0 CHD None
4 5FPX GLY SER SER HIS HIS HIS HIS HIS None
5 3A16 PXO 1.07239
6 2AWN ADP 1.31234
7 4PPF FLC 1.42857
8 4CSD MFU 1.47059
9 6A0S NDP 1.50602
10 5DXT 5H5 1.5625
11 5L2R MLA 1.5625
12 4S3F 43W 1.5625
13 2WSI FAD 1.63399
14 3BP1 GUN 1.72414
15 1IA9 ANP 1.78571
16 1Y7P RIP 1.79372
17 1UUY PPI 1.79641
18 5GK9 ACO 1.81159
19 5KJW 53C 1.82292
20 2NSX IFM 1.82292
21 1YKD CMP 1.82292
22 5HV7 RBL 1.82292
23 4IE6 UN9 1.82292
24 3E70 GDP 1.82927
25 1N4K I3P 1.83727
26 3NZ1 3NY 1.91571
27 3ZZH ARG 1.9544
28 3UDG TMP 1.99336
29 5FIT AP2 2.04082
30 3D2M COA 2.08333
31 5JPH COA 2.08333
32 5TSH ADP 2.08333
33 3BJC WAN 2.08333
34 2XIQ MLC 2.08333
35 5GLT BGC GAL NAG GAL 2.11268
36 4KBA 1QM 2.1148
37 3LN9 FLC 2.15827
38 2Y65 ADP 2.19178
39 5IUY BOG 2.20751
40 4D52 GXL 2.22222
41 4D52 GIV 2.22222
42 3N0Y APC 2.23464
43 2FUE M1P 2.29008
44 2WA4 069 2.29226
45 2VZZ SCA 2.29358
46 3SHZ 5CO 2.30548
47 1G6H ADP 2.33463
48 2Z3U CRR 2.34375
49 5OLK DTP 2.34375
50 1M0W ANP 2.34375
51 5IM3 DTP 2.34375
52 5CKW ANP 2.34375
53 4WCX MET 2.34375
54 4P7X AKG 2.39726
55 4P7X YCP 2.39726
56 2D2F ADP 2.4
57 6GQM F8H 2.43902
58 3H9A PPY 2.46914
59 3VPD BUA 2.4911
60 4B5P ACO 2.5
61 4H6U ACO 2.5
62 4BG4 ADP 2.52809
63 5EO8 TFU 2.57235
64 1LSH PLD 2.60417
65 1U0J ADP 2.62172
66 3R96 AMP 2.65957
67 3R96 ACO 2.65957
68 3PP0 03Q 2.66272
69 3KC1 2T6 2.67062
70 1B0U ATP 2.67176
71 1N5S ADL 2.67857
72 4OAG ADP 2.68657
73 4AVB ACO 2.7027
74 6BA2 7KM 2.71186
75 1MFD GLA MMA ABE 2.73973
76 4WZ6 ATP 2.75862
77 3FW4 CAQ 2.80899
78 2YKL NLD 2.83019
79 1R6N 434 2.8436
80 6E1Q CFA 2.86458
81 5L6G XYP 2.86458
82 4BTV RB3 2.90698
83 5C3R HMU 2.91545
84 5C3R AKG 2.91545
85 6G9I CXX 2.97619
86 5XJ7 87O 2.98507
87 2ZW5 COA 2.99003
88 5YX4 HCC 3.01724
89 5YSN 5AD 3.05085
90 2G30 ALA ALA PHE 3.10078
91 1EB1 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 3.11284
92 3EPO MP5 3.125
93 1AV5 AP2 3.1746
94 5TZO 7V7 3.19149
95 2P4S DIH 3.21716
96 1GXU 2HP 3.2967
97 4KFU ACP 3.30189
98 4R2I ANP 3.33333
99 1K3A ACP 3.34448
100 5H2U 1N1 3.37079
101 4MRP GSH 3.38542
102 4DOO DAO 3.41463
103 2ZPA ACO 3.42772
104 3ZW2 NAG GAL FUC 3.44828
105 2JEV NHQ 3.44828
106 3ZW2 GLA NAG GAL FUC 3.44828
107 3ZW0 FUC 3.44828
108 5IFK HPA 3.52564
109 2FB3 GTP 3.52941
110 2WPX ACO 3.53982
111 2WPW ACO 3.53982
112 5W75 SUC 3.64583
113 2X1L MET 3.64583
114 4OFJ HIS 3.64583
115 5KF9 ACO 3.65854
116 5KF9 COA 3.65854
117 5KF9 NAG 3.65854
118 1ZX5 LFR 3.66667
119 1Q6O LG6 3.7037
120 3WV6 GAL BGC 3.71622
121 2ZR9 DTP 3.72493
122 1A78 TDG 3.73134
123 1JI0 ATP 3.75
124 3JU6 ANP 3.78378
125 1QIN GIP 3.82514
126 4YGF AZM 3.84615
127 1TIQ COA 3.88889
128 4Y24 TD2 3.8961
129 5TVJ COA 3.90625
130 5VRH OLB 3.90625
131 5TVJ 7LF 3.90625
132 2ZFN ACO 3.90625
133 4ZS4 ATP 3.90879
134 5I8T LAC 3.91061
135 6GVZ CHO 3.93443
136 2HRL SIA GAL SIA BGC NGA CEQ 3.93701
137 2VDF OCT 3.95257
138 1V0C ACO 3.9604
139 1V0C KNC 3.9604
140 1OXV ANP 3.96601
141 1QFT HSM 4
142 5OO5 UUA 4.03226
143 5EJL C2E 4.03226
144 6FA4 D1W 4.04624
145 2ZHL NAG GAL GAL NAG 4.05405
146 1BC5 ACE ASN TRP GLU THR PHE 4.08922
147 2B4D COA 4.09357
148 4LED XXR 4.10448
149 3WR7 COA 4.11765
150 1SDW IYT 4.14013
151 4QAC KK3 4.14747
152 2BCG GER 4.16667
153 3FC2 IBI 4.16667
154 1EQ2 NAP 4.19355
155 4XPL ACO 4.29448
156 4AFH L0B 4.34783
157 3PDT ADP 4.36364
158 4K30 NLG 4.375
159 1WWZ ACO 4.40252
160 3B9Z CO2 4.42708
161 2BS5 BGC GAL FUC 4.44444
162 6F7X MFU 4.44444
163 3B6R ADP 4.46194
164 1VRP ADP 4.46194
165 5TA6 79D 4.46927
166 1L5Y BEF 4.51613
167 5LX9 OLB 4.56026
168 5H5A 6OU 4.58333
169 5YGE ACO 4.5977
170 5YGE GLU 4.5977
171 3KP6 SAL 4.63576
172 6B21 C9V 4.6875
173 4CJN QNZ 4.6875
174 5LRT ADP 4.6875
175 5FYR INS 4.69799
176 5HGZ ACO 4.93827
177 1ELI PYC 4.94792
178 1SO2 666 4.94792
179 2XN3 ID8 4.95627
180 5W7B MYR 4.96454
181 1M4I KAN 4.97238
182 1M4I COA 4.97238
183 1M4I PAP 4.97238
184 3VV1 GAL FUC 5
185 2OG2 MLI 5.01393
186 6BR9 6OU 5.01393
187 2GWH PCI 5.03356
188 3TE4 ACO 5.11628
189 4LIT AKG 5.20833
190 2Z48 NGA 5.20833
191 5MHB PBG 5.24691
192 4NSQ COA 5.26316
193 3LF0 ATP 5.26316
194 2QTR NXX 5.29101
195 5XXS COA 5.30303
196 4U9W COA 5.31401
197 2CM4 RCL 5.33333
198 2JEN GLC GLC BGC XYS BGC XYS 5.36398
199 5W8E SXZ 5.42986
200 5W8E ADE 5.42986
201 1BHX ASP PHE GLU GLU ILE 5.44218
202 3CXO 1N5 5.46875
203 2CBZ ATP 5.48523
204 1S7N COA 5.49451
205 4KOT CE3 5.55556
206 4WVW SLT 5.55556
207 1YRE COA 5.58376
208 5LWY OLB 5.60748
209 2CNT COA 5.625
210 5H4S RAM 5.6338
211 3CH8 PRO GLN PRO VAL ASP SER TRP VAL 5.64103
212 3GM5 CIT 5.66038
213 4I6H 1C8 5.72917
214 5OSW DIU 5.72917
215 6EZ6 C5Z 5.72917
216 1BOB ACO 5.9375
217 5H86 BCO 5.95238
218 1CM0 COA 5.95238
219 1QXA GLY GLY GLY 5.95745
220 4NOS ITU 5.98958
221 4PSW COA 5.99369
222 5HH0 COA 6
223 2CIX CEJ 6.02007
224 2VBQ BSJ 6.06061
225 4INI AMP 6.15385
226 1MJJ HAL 6.1674
227 6CZI 38E 6.25
228 4OFG PCG 6.25
229 1QY1 PRZ 6.32184
230 3GNE FLC 6.34921
231 5F6U 5VK 6.36943
232 4KVX ACO 6.41026
233 1KJ1 MAN 6.42202
234 2B4B COA 6.43275
235 5JSP DQY 6.46766
236 1JJ7 ADP 6.53846
237 4J25 OGA 6.55022
238 5KBE IPH 6.55022
239 1A27 EST 6.57439
240 5DYO FLU 6.60377
241 6EDV COA 6.70103
242 3N1S 5GP 6.72269
243 2J9D ADP 6.72269
244 3WG3 A2G GAL NAG FUC 6.74157
245 6HDT BTN 6.76692
246 5H9Y BGC BGC BGC BGC BGC 6.77083
247 5H9Y BGC BGC BGC BGC 6.77083
248 5M6N 7H9 6.77966
249 1I1D COA 6.8323
250 1I1D 16G 6.8323
251 2VSS ACO 6.88406
252 3UW5 MAA CHG PRO 0DQ 6.89655
253 1XE7 GUN 6.89655
254 4OGQ 7PH 6.90691
255 2VSU ACO 6.90909
256 2HKA C3S 6.92308
257 4MTI 2DX 6.95652
258 4O9S 2RY 6.97674
259 3R9V DXC 6.99301
260 5Z5I XYP 7.03125
261 6BMS PLM 7.03812
262 5OCA 9QZ 7.14286
263 5J75 6GQ 7.19697
264 5AIG VPR 7.2
265 5ACM MBT 7.20721
266 1NU4 MLA 7.2165
267 4K55 H6P 7.25806
268 3TAY MN0 7.36196
269 3T4L ZEA 7.40741
270 3EW2 BTN 7.40741
271 2PZE ATP 7.42358
272 2CDO GAL AAL GAL AAL GAL AAL 7.5
273 4NS0 PIO 7.5188
274 4B0T ADP 7.55208
275 1GP6 QUE 7.58427
276 1GP6 DH2 7.58427
277 1GP6 SIN 7.58427
278 3TO7 COA 7.6087
279 4XMF HSM 7.6087
280 1TV5 N8E 7.67494
281 4WOE ADP 7.8125
282 3H7J PPY 7.81893
283 4QC6 30N 7.82123
284 3KO0 TFP 7.92079
285 5EPQ OLA 7.92683
286 5COU ATP 7.94118
287 3NV3 GAL NAG MAN 7.97101
288 4RF7 ARG 8.07292
289 1KUV CA5 8.21256
290 5K04 COA 8.23529
291 3ZJ0 ACO 8.25243
292 4QYN RTL 8.27068
293 1VMK GUN 8.30325
294 5T7I LAT NAG GAL 8.3871
295 5FVJ ACO 8.43373
296 5C1M OLC 8.44595
297 1MEX RAC 8.4507
298 6G96 ACO 8.52273
299 3A6T 8OG 8.52713
300 3UW4 MAA CHG PRO 0DQ 8.69565
301 3M3E GAL A2G NPO 8.69565
302 2YG2 S1P 8.72093
303 1ERB ETR 8.74317
304 1GT4 UNA 8.80503
305 2Q4V ACO 8.82353
306 6GNO XDI 8.88889
307 4MA6 28E 8.9172
308 6DZN AE3 8.92019
309 1U6R ADP 8.94737
310 4YFB PAC 8.98876
311 5H9Q TD2 9.03226
312 2R0H CTO 9.14634
313 5FU3 BGC BGC BGC 9.43396
314 5Y4R C2E 9.52381
315 5URY PAM 9.58904
316 1OFZ FUC 9.61539
317 4RI1 ACO 9.67742
318 5FLJ QUE 9.67742
319 4OIT MAN 9.73451
320 3FAL REA 9.77444
321 3RGA LSB 9.89399
322 6EK3 OUL 9.95475
323 5XLY C2E 9.96441
324 4R57 ACO 10.2273
325 1KGI T4A 10.2362
326 1CJW COT 10.241
327 2HJ3 FAD 10.4
328 3P2H NOO 10.4478
329 1RV1 IMZ 10.5882
330 4NTO 1PW 10.628
331 4WGF HX2 10.7317
332 5MJA 7O3 10.8197
333 4M6T SAM 10.929
334 3SXN COA 10.9375
335 2XG5 EC2 10.9827
336 2XG5 EC5 10.9827
337 3SCH TB6 11.1111
338 2RDG NDG FUC SIA GAL 11.2245
339 1WW5 SGA BGC 11.25
340 4XIZ LPP 11.4286
341 2Z77 HE7 11.5108
342 4RT1 C2E 11.6071
343 2IL4 COA 11.6505
344 1F5F DHT 11.7073
345 6FOF LAT 11.7347
346 6E2B PT7 11.8421
347 6GMR F4K 11.8644
348 5C8W PCG 11.8881
349 1NWW HPN 12.0805
350 4IPH 1FJ 12.1951
351 1PUA COA 12.2699
352 1QSN COA 12.3457
353 1Q2D COA 12.3457
354 1QSR ACO 12.3457
355 1Q2C COA 12.3457
356 5NCF 8T5 12.3894
357 1ZZ7 S0H 12.6263
358 5H9P TD2 12.6582
359 3CM2 X23 13.0769
360 3SAO NKN 13.125
361 3H55 GLA 13.2812
362 5AZC PGT 13.3333
363 5TFZ 7BC 13.3333
364 2JDC CAO 13.6986
365 3K9U ACO 13.8365
366 4U00 ADP 14.3443
367 5ODY 9SK 14.4928
368 4WN5 MVC 14.7826
369 1BO4 COA 14.881
370 1OPB RET 14.9254
371 3MYZ TFX 15
372 1GHE ACO 15.2542
373 1OGX EQU 15.2672
374 1DZK PRZ 15.2866
375 5OCG 9R5 15.3439
376 3DC4 ADP 15.407
377 1N71 COA 16.1111
378 3ZXE PGZ 16.5414
379 2GMH UQ5 16.9271
380 2KIN ADP 18
381 4UA3 COA 18.0412
382 6BU0 IHP 18.3206
383 5KWY C3S 18.797
384 5LS7 ACO 18.9781
385 4CRZ ACO 18.9781
386 1QSM ACO 19.0789
387 4AG9 COA 20.6061
388 4AG9 16G 20.6061
389 1SU2 ATP 22.0126
390 1HBK MYR 22.4719
391 5ZCO CHD 23.913
392 5W97 CHD 23.913
393 3STD MQ0 25.4545
394 2FT0 ACO 25.5319
395 3ZIA ADP 26.2295
396 1UO5 PIH 26.4706
397 3F8K COA 28.75
Pocket No.: 3; Query (leader) PDB : 2YNE; Ligand: YNE; Similar sites found with APoc: 101
This union binding pocket(no: 3) in the query (biounit: 2yne.bio3) has 66 residues
No: Leader PDB Ligand Sequence Similarity
1 2HO2 PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU None
2 3NNF AKG 1.45349
3 1I36 NAP 1.51515
4 4QCK ASD 1.5625
5 3PQB VGP 1.5625
6 4YZ5 SLT 1.82292
7 3BIY 01K 1.84211
8 5F3I 5UJ 1.94444
9 5BU3 4W9 2.17391
10 1XP8 AGS 2.18579
11 3MF2 AMP 2.31214
12 3S5Y DGJ 2.34375
13 5YJS SAL 2.34375
14 5OES ADP 2.34375
15 4BJ8 BTN 2.38095
16 3ORQ ADP 2.38727
17 1KTC NGA 2.60417
18 4U8P UDP 2.60417
19 6EXS C3H 2.60417
20 1RJW ETF 2.65487
21 1W8S FBP 2.6616
22 3GD8 GOL 2.69058
23 1I7A PHE 2.7027
24 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 2.72109
25 6GR0 F8W 2.87356
26 6BYM HC3 2.95567
27 6F5U CQN 2.97619
28 5OM2 DXT 2.98103
29 4IGQ THR M3L GLN 3.05556
30 5MRH Q9Z 3.125
31 2PNC CLU 3.125
32 1BG2 ADP 3.125
33 1YQT ADP 3.38542
34 1J78 OLA 3.38542
35 5LDQ NAP 3.38983
36 2CYB TYR 3.40557
37 4OJ8 AKG 3.41297
38 2HZQ STR 3.44828
39 3ITJ CIT 3.5503
40 5NLD LBT 3.59712
41 3RC3 ANP 3.64583
42 2P7Q GG6 3.7594
43 3FW9 SLX 3.83838
44 5I0U DCY 4
45 4KS7 X4Z 4.10959
46 4QDC ASD 4.16667
47 5TVI MYR 4.34783
48 3B99 U51 4.42708
49 4AZC NGW 4.42708
50 5FUI APY 4.54545
51 2X7I CIT 4.54545
52 5XQW 8EU 4.73934
53 3O01 DXC 4.87013
54 5UXH GFB 4.90463
55 4FFG 0U8 5.20833
56 4MPO AMP 5.22876
57 3ETH ATP 5.35211
58 2E27 AB0 5.88235
59 2J5B TYE 6.03448
60 4DDY DN6 6.08365
61 1MH5 HAL 6.08696
62 5G48 1FL 6.14973
63 3W9F I3P 6.15385
64 5ISY NAD 6.17761
65 3L1N PLM 6.18557
66 4QM9 CYS 6.25
67 1OFL NGK GCD 6.51042
68 5OF1 SAL 6.66667
69 4EWN 0VR 6.71937
70 2VL1 GLY GLY 6.77083
71 4MAF ADX 7.03125
72 2XHK AKG 7.20721
73 3QRC SCR 8.28025
74 5E5U 1PS 8.54271
75 1LFO OLA 8.59375
76 1IIU RTL 8.62069
77 1LNX URI 8.64198
78 5D1R 56S 8.78661
79 5O2N FLC 8.85417
80 3QO8 SSA 8.85417
81 3KFF ZBT 9.25926
82 3KFF XBT 9.25926
83 4K3H 1OM 9.32203
84 3T50 FMN 9.375
85 3JRS A8S 9.61539
86 2V5E SCR 9.90099
87 1KTG AMP 10.1449
88 3W9R A8S 10.582
89 2Y6O 1N1 10.6529
90 5GVR LMR 10.6838
91 6MJ7 ARG 10.9091
92 1KDK DHT 11.2994
93 3H0L ADP 11.7021
94 4UTW RFW 12.2271
95 4RYV ZEA 12.2581
96 3SAO DBH 13.125
97 4DCT GDP 14.3229
98 6GG9 FMN 14.8148
99 5C9J DAO 15.1515
100 5HA0 LTD 21.1538
101 4HBM 0Y7 26.6667
Pocket No.: 4; Query (leader) PDB : 2YNE; Ligand: NHW; Similar sites found with APoc: 101
This union binding pocket(no: 4) in the query (biounit: 2yne.bio3) has 66 residues
No: Leader PDB Ligand Sequence Similarity
1 2HO2 PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU None