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Receptor
PDB id Resolution Class Description Source Keywords
2YNC 1.75 Å EC: 2.3.1.97 PLASMODIUM VIVAX N-MYRISTOYLTRANSFERASE IN COMPLEX WITH YNC12-COA THIOESTER. PLASMODIUM VIVAX TRANSFERASE MYRISTOYLATION MALARIA
Ref.: VALIDATION OF N-MYRISTOYLTRANSFERASE AS AN ANTIMALA DRUG TARGET USING AN INTEGRATED CHEMICAL BIOLOGY AP NAT.CHEM. V. 6 112 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
YNC A:1000;
B:1000;
C:1000;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
973.858 C35 H58 N7 O17 P3 S CC(C)...
DMS A:999;
C:999;
B:999;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
78.133 C2 H6 O S CS(=O...
CL B:1412;
A:1500;
C:1412;
A:1413;
C:1500;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
35.453 Cl [Cl-]
MG A:1412;
C:1411;
B:1411;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
SO4 A:1411;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2YNC 1.75 Å EC: 2.3.1.97 PLASMODIUM VIVAX N-MYRISTOYLTRANSFERASE IN COMPLEX WITH YNC12-COA THIOESTER. PLASMODIUM VIVAX TRANSFERASE MYRISTOYLATION MALARIA
Ref.: VALIDATION OF N-MYRISTOYLTRANSFERASE AS AN ANTIMALA DRUG TARGET USING AN INTEGRATED CHEMICAL BIOLOGY AP NAT.CHEM. V. 6 112 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 2YNC - YNC C35 H58 N7 O17 P3 S CC(C)(COP(....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 2YNC - YNC C35 H58 N7 O17 P3 S CC(C)(COP(....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2YNC - YNC C35 H58 N7 O17 P3 S CC(C)(COP(....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: YNC; Similar ligands found: 121
No: Ligand ECFP6 Tc MDL keys Tc
1 YNC 1 1
2 UCC 0.876812 0.945055
3 ST9 0.876812 0.945055
4 DCC 0.876812 0.945055
5 MFK 0.876812 0.945055
6 MYA 0.876812 0.945055
7 5F9 0.876812 0.945055
8 CO8 0.869565 0.945055
9 HXC 0.855072 0.945055
10 GRA 0.828571 0.966292
11 BCO 0.818841 0.966292
12 1HE 0.818841 0.945055
13 SCA 0.807143 0.966292
14 1VU 0.804348 0.955556
15 IVC 0.792857 0.977273
16 3HC 0.792857 0.977273
17 MLC 0.792857 0.966292
18 ACO 0.788321 0.955556
19 CAA 0.787234 0.977273
20 3KK 0.776978 0.966292
21 HGG 0.776224 0.966292
22 COS 0.773723 0.944444
23 CAO 0.773723 0.934066
24 OXK 0.771429 0.966292
25 FAQ 0.770833 0.966292
26 CO6 0.765957 0.966292
27 2MC 0.760563 0.945652
28 TGC 0.760274 0.955556
29 COK 0.758865 0.944444
30 HDC 0.758389 0.945055
31 FYN 0.751773 0.965909
32 IRC 0.751724 0.977273
33 CS8 0.751678 0.934783
34 MCA 0.75 0.955556
35 COO 0.75 0.988636
36 SOP 0.746479 0.944444
37 MC4 0.744828 0.935484
38 CMC 0.741259 0.944444
39 1GZ 0.739726 0.977528
40 BYC 0.739726 0.966292
41 COW 0.739726 0.955556
42 COA 0.73913 0.965909
43 0T1 0.73913 0.94382
44 DCA 0.737226 0.922222
45 30N 0.735714 0.885417
46 AMX 0.735714 0.954545
47 BCA 0.734694 0.955556
48 2NE 0.731544 0.945055
49 A1S 0.731034 0.944444
50 CMX 0.730496 0.94382
51 MRR 0.730263 0.945055
52 MRS 0.730263 0.945055
53 3CP 0.727891 0.944444
54 COF 0.727891 0.923913
55 ETB 0.724638 0.89011
56 CAJ 0.724138 0.923077
57 NHW 0.723684 0.923913
58 UOQ 0.723684 0.923913
59 NHM 0.723684 0.923913
60 0ET 0.721854 0.923913
61 2CP 0.721088 0.934066
62 8Z2 0.720779 0.956044
63 HAX 0.72028 0.923077
64 1CZ 0.72 0.955556
65 SCO 0.71831 0.94382
66 2KQ 0.716216 0.945055
67 FAM 0.713287 0.923077
68 FCX 0.713287 0.913043
69 SCD 0.712329 0.94382
70 4CA 0.711409 0.934066
71 CA6 0.710345 0.858586
72 MCD 0.710345 0.923077
73 WCA 0.705882 0.966667
74 NMX 0.705479 0.875
75 DAK 0.703226 0.956044
76 4KX 0.701299 0.956044
77 UCA 0.701219 0.945055
78 CIC 0.697368 0.944444
79 1CV 0.694805 0.966292
80 0FQ 0.69281 0.944444
81 4CO 0.69281 0.934066
82 01A 0.688312 0.904255
83 CCQ 0.686275 0.924731
84 CA8 0.682119 0.877551
85 1HA 0.68125 0.945055
86 YE1 0.68 0.933333
87 NHQ 0.679245 0.955056
88 COA PLM 0.677419 0.913043
89 PLM COA 0.677419 0.913043
90 HFQ 0.675159 0.923913
91 F8G 0.67284 0.925532
92 01K 0.666667 0.944444
93 S0N 0.664516 0.923077
94 7L1 0.659864 0.955556
95 CA3 0.654545 0.944444
96 COT 0.652439 0.944444
97 CA5 0.64497 0.904255
98 CO7 0.636364 0.988636
99 93P 0.631579 0.934066
100 93M 0.622857 0.934066
101 COD 0.60274 0.954545
102 JBT 0.590426 0.886598
103 4BN 0.589189 0.925532
104 5TW 0.589189 0.925532
105 HMG 0.582822 0.933333
106 OXT 0.578378 0.905263
107 BSJ 0.534392 0.913979
108 ASP ASP ASP ILE CMC NH2 0.508197 0.902174
109 191 0.5 0.877551
110 PAP 0.496296 0.784091
111 SFC 0.47486 0.945055
112 RFC 0.47486 0.945055
113 PPS 0.47482 0.729167
114 ACE SER ASP ALY THR NH2 COA 0.469697 0.902174
115 0WD 0.453416 0.782609
116 A3P 0.451852 0.772727
117 PTJ 0.414474 0.842697
118 PUA 0.414201 0.813187
119 3AM 0.407407 0.761364
120 A22 0.402685 0.786517
121 NA7 0.401316 0.829545
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2YNC; Ligand: YNC; Similar sites found with APoc: 289
This union binding pocket(no: 1) in the query (biounit: 2ync.bio2) has 36 residues
No: Leader PDB Ligand Sequence Similarity
1 5X80 SAL None
2 2E9L PLM 1.04167
3 2AWN ADP 1.31234
4 4PPF FLC 1.42857
5 3NNF AKG 1.45349
6 1I36 NAP 1.51515
7 3PMA SCR 1.5444
8 4P86 5GP 1.63934
9 5GK9 ACO 1.81159
10 4LIK CIT 1.82292
11 3E70 GDP 1.82927
12 5JPH COA 2.08333
13 5TSH ADP 2.08333
14 3BJC WAN 2.08333
15 3D2M COA 2.08333
16 4UBS DIF 2.08333
17 5TSH ANP 2.08333
18 3LN9 FLC 2.15827
19 1XP8 AGS 2.18579
20 2Y65 ADP 2.19178
21 5IUY BOG 2.20751
22 2VZZ SCA 2.29358
23 3SHZ 5CO 2.30548
24 4KJU 1RH 2.32558
25 1G6H ADP 2.33463
26 1M2Z BOG 2.33463
27 5OLK DTP 2.34375
28 1M0W ANP 2.34375
29 5IM3 DTP 2.34375
30 5OES ADP 2.34375
31 2D2F ADP 2.4
32 3TK1 GDP 2.42424
33 3VPD BUA 2.4911
34 4H6U ACO 2.5
35 4B5P ACO 2.5
36 2RH1 CLR 2.60417
37 5CX6 CDP 2.60417
38 6EXS C3H 2.60417
39 2WH8 II2 2.60417
40 3FS1 ALA ALA LEU ALA ALA LEU LEU ALA ALA 2.6087
41 1U0J ADP 2.62172
42 1RRC ADP 2.65781
43 3R96 AMP 2.65957
44 3R96 ACO 2.65957
45 3KC1 2T6 2.67062
46 1B0U ATP 2.67176
47 3GD8 GOL 2.69058
48 4AVB ACO 2.7027
49 6BA2 7KM 2.71186
50 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 2.72109
51 4WZ6 ATP 2.75862
52 1R6N 434 2.8436
53 4IHQ ADP 2.86458
54 1JGS SAL 2.89855
55 3COB ADP 2.98103
56 5XJ7 87O 2.98507
57 2ZW5 COA 2.99003
58 5WGQ EST 3.06513
59 1XMV ADP 3.08989
60 1BG2 ADP 3.125
61 1P0H COA 3.14465
62 1P0H ACO 3.14465
63 6FBA D48 3.15186
64 1RTW MP5 3.18182
65 3EC1 GDP 3.25203
66 1GXU 2HP 3.2967
67 4KFU ACP 3.30189
68 4R2I ANP 3.33333
69 1GOJ ADP 3.38028
70 4MRP GSH 3.38542
71 1YQT ADP 3.38542
72 1J78 OLA 3.38542
73 5YV5 ADP 3.38542
74 3A51 VDY 3.38542
75 1J78 VDY 3.38542
76 1XMY ROL 3.38542
77 4DOO DAO 3.41463
78 2VCN ISZ 3.44828
79 2JEV NHQ 3.44828
80 1R0X ATP 3.4965
81 2WPX ACO 3.53982
82 2WPW ACO 3.53982
83 5UC9 MYR 3.53982
84 3ITJ CIT 3.5503
85 3NX2 FER 3.57143
86 2ZPA ACO 3.57675
87 5FPN KYD 3.64583
88 2X1L MET 3.64583
89 3RC3 ANP 3.64583
90 4AG5 ADP 3.64583
91 5KF9 ACO 3.65854
92 5KF9 NAG 3.65854
93 5KF9 COA 3.65854
94 2YGM GLA NAG GAL FUC 3.67232
95 2ZR9 DTP 3.72493
96 1JI0 ATP 3.75
97 4NON GDP 3.84615
98 1TIQ COA 3.88889
99 5TVJ COA 3.90625
100 5TVJ 7LF 3.90625
101 5VRH OLB 3.90625
102 2ZFN ACO 3.90625
103 3LRE ADP 3.94366
104 1V0C ACO 3.9604
105 1V0C KNC 3.9604
106 1OXV ANP 3.96601
107 2B4D COA 4.09357
108 3WR7 COA 4.11765
109 2BCG GER 4.16667
110 1SQ5 ADP 4.22078
111 4XPL ACO 4.29448
112 5TVI MYR 4.34783
113 2ALG DAO 4.34783
114 5CHR 4NC 4.37956
115 1WWZ ACO 4.40252
116 3W5J GDP 4.41176
117 3B9Z CO2 4.42708
118 3H4S ADP 4.44444
119 3AQT RCO 4.4898
120 3ROE THM 4.5283
121 2X7I CIT 4.54545
122 5LX9 OLB 4.56026
123 5YGE ACO 4.5977
124 5YGE GLU 4.5977
125 3KP6 SAL 4.63576
126 6B21 C9V 4.6875
127 5ZXD ATP 4.6875
128 5OVV ACE ILE GLU SER THR GLU ILE 4.87805
129 5V3Y 5V8 4.8951
130 5HGZ ACO 4.93827
131 5W7B MYR 4.96454
132 1M4I PAP 4.97238
133 1M4I COA 4.97238
134 1M4I KAN 4.97238
135 5DXG EST 4.98084
136 2OG2 MLI 5.01393
137 6BR9 6OU 5.01393
138 2GWH PCI 5.03356
139 2QZO KN1 5.03876
140 2QA8 GEN 5.03876
141 4MGA 27L 5.09804
142 4MGB XDH 5.09804
143 3TE4 ACO 5.11628
144 4TV1 36M 5.17928
145 3UU7 2OH 5.17928
146 3UUA 0CZ 5.17928
147 4MPO AMP 5.22876
148 4NSQ COA 5.26316
149 5NM7 GLY 5.26316
150 5XXS COA 5.30303
151 4U9W COA 5.31401
152 5W8E ADE 5.42986
153 2W58 ADP 5.44554
154 2CBZ ATP 5.48523
155 1S7N COA 5.49451
156 4KOT CE3 5.55556
157 1YRE COA 5.58376
158 6BJO DUY 5.6
159 2CNT COA 5.625
160 5H4S RAM 5.6338
161 5OSW DIU 5.72917
162 1BOB ACO 5.9375
163 1CM0 COA 5.95238
164 5H86 BCO 5.95238
165 4PSW COA 5.99369
166 5HH0 COA 6
167 2CIX CEJ 6.02007
168 2VBQ BSJ 6.06061
169 2ZX2 RAM 6.15385
170 3L1N PLM 6.18557
171 3N7S 3N7 6.25
172 4YJ1 ADP 6.25
173 4KVX ACO 6.41026
174 2B4B COA 6.43275
175 2QCX PF1 6.46388
176 6CB2 OLC 6.48464
177 1JJ7 ADP 6.53846
178 1TO9 HMH 6.53846
179 1T0S BML 6.66667
180 3W54 RNB 6.68693
181 6EDV COA 6.70103
182 5M6N 7H9 6.77966
183 4E03 ADP 6.79612
184 1I1D COA 6.8323
185 1I1D 16G 6.8323
186 3UW5 MAA CHG PRO 0DQ 6.89655
187 4OGQ 7PH 6.90691
188 2VWA PTY 6.93069
189 1DKU AP2 6.94006
190 4MTI 2DX 6.95652
191 6BMS PLM 7.03812
192 2YLD CMO 7.08661
193 5OCA 9QZ 7.14286
194 1NU4 MLA 7.2165
195 2DPY ADP 7.29167
196 4UCC ZKW 7.29614
197 2PZE ATP 7.42358
198 3KIF GDL 7.54717
199 3TO7 COA 7.6087
200 1TV5 N8E 7.67494
201 5F1V 3VN 7.74411
202 4QC6 30N 7.82123
203 5CXI 5TW 7.88177
204 3KO0 TFP 7.92079
205 1XZ3 ICF 8.04598
206 1JGU HBC 8.18182
207 1KUV CA5 8.21256
208 5K04 COA 8.23529
209 3ZJ0 ACO 8.25243
210 5FVJ ACO 8.43373
211 5C1M OLC 8.44595
212 6G96 ACO 8.52273
213 1LNX URI 8.64198
214 3UW4 MAA CHG PRO 0DQ 8.69565
215 1DTL BEP 8.69565
216 5O2N FLC 8.85417
217 4MA6 28E 8.9172
218 4G86 BNT 9.15493
219 4ONT SIA GAL BGC 9.30233
220 3B5J 12D 9.46502
221 5URY PAM 9.58904
222 4RI1 ACO 9.67742
223 2VVG ADP 9.71429
224 3FAL REA 9.77444
225 2GKS ADP 9.89583
226 2V5E SCR 9.90099
227 6BR8 PGV 9.92064
228 1XVB 3BR 10
229 1T5C ADP 10.0287
230 4R57 ACO 10.2273
231 1CJW COT 10.241
232 2HJ3 FAD 10.4
233 3P2H NOO 10.4478
234 1RV1 IMZ 10.5882
235 4NTO 1PW 10.628
236 5GVR LMR 10.6838
237 4WGF HX2 10.7317
238 4M6T SAM 10.929
239 3SXN COA 10.9375
240 2QQC AG2 11.6071
241 2IL4 COA 11.6505
242 4NTX AMR 11.7647
243 6CS8 F9Y 12.2112
244 1PUA COA 12.2699
245 1Q2D COA 12.3457
246 1Q2C COA 12.3457
247 1QSR ACO 12.3457
248 1QSN COA 12.3457
249 3CM2 X23 13.0769
250 4F4S EFO 13.1579
251 5AZC PGT 13.3333
252 2JDC CAO 13.6986
253 3K9U ACO 13.8365
254 2Q4V ACO 14.1176
255 4DCT GDP 14.3229
256 4U00 ADP 14.7541
257 1BO4 COA 14.881
258 5Y02 HBX 14.9533
259 3MYZ TFX 15
260 5C9J DAO 15.1515
261 1GHE ACO 15.2542
262 3DC4 ADP 15.407
263 3NHB ADP 15.6863
264 2Y69 CHD 15.7143
265 5MWE TCE 16.0494
266 1N71 COA 16.1111
267 3UEC ALA ARG TPO LYS 16.4384
268 3WYJ H78 16.996
269 2WOR 2AN 17
270 2VSL MAA LYS PRO PHE 17.7083
271 2KIN ADP 18
272 2XT3 ADP 18.0233
273 4UA3 COA 18.0412
274 5V4R MGT 18.5185
275 4D0N GDP 18.9189
276 5LS7 ACO 18.9781
277 4CRZ ACO 18.9781
278 1QSM ACO 19.0789
279 4AG9 COA 20.6061
280 4AG9 16G 20.6061
281 5ZCO CHD 23.913
282 5W97 CHD 23.913
283 5Z84 CHD 23.913
284 5ZCO PEK 23.913
285 2FT0 ACO 25.5319
286 1UO5 PIH 26.4706
287 4HBM 0Y7 26.6667
288 3F8K COA 28.75
289 5O74 GDP 30.9645
Pocket No.: 2; Query (leader) PDB : 2YNC; Ligand: YNC; Similar sites found with APoc: 18
This union binding pocket(no: 2) in the query (biounit: 2ync.bio1) has 36 residues
No: Leader PDB Ligand Sequence Similarity
1 1ZEI CRS None
2 4J24 EST 0.833333
3 3VPB GLU 1.41844
4 1TL2 NDG 2.11864
5 1YRX FMN 2.47934
6 5L7G LYS SER LEU LEU GLN GLN LEU LEU THR GLU 2.95082
7 3R6K FUC GAL GLA 3.27869
8 1KI6 AHU 3.62538
9 3SQP 3J8 4.16667
10 1GNI OLA 5.20833
11 5KAU RHQ 5.45455
12 5LWY OLB 5.60748
13 1MZV AMP 5.95745
14 3B9Q MLI 5.96026
15 3F8C HT1 8.73016
16 2UW1 GVM 8.87574
17 4MA7 P2Z 10.3286
18 3PQC GDP 11.2821
Pocket No.: 3; Query (leader) PDB : 2YNC; Ligand: YNC; Similar sites found with APoc: 14
This union binding pocket(no: 3) in the query (biounit: 2ync.bio3) has 36 residues
No: Leader PDB Ligand Sequence Similarity
1 3WJO IPE 2.07715
2 1X0P FAD 2.0979
3 5FPE 3TR 3.64583
4 2OHV NHL 4.16667
5 4EUO ABU 4.375
6 3TTM PUT 6.35838
7 1QJI PKF 6.5
8 2QPU QPU 6.51042
9 4OGQ 1O2 6.90691
10 3A3B FMN 8.42105
11 3A3B RBF 8.42105
12 3KIH GDL 9.27835
13 2XRH NIO 10
14 5C83 4YN 15.4545
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