Receptor
PDB id Resolution Class Description Source Keywords
4NTX 2.27 Å NON-ENZYME: OTHER STRUCTURE OF ACID-SENSING ION CHANNEL IN COMPLEX WITH SNAKE AMILORIDE GALLUS GALLUS KUNITZ PHOSPHOLIPASE A2-LIKE ION CHANNEL NOCICEPTION MEMTRANSPORT PROTEIN-TOXIN COMPLEX
Ref.: X-RAY STRUCTURE OF ACID-SENSING ION CHANNEL 1-SNAKE COMPLEX REVEALS OPEN STATE OF A NA(+)-SELECTIVE CHA CELL(CAMBRIDGE,MASS.) V. 156 717 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
P6G A:506;
Invalid;
none;
submit data
282.331 C12 H26 O7 C(COC...
NAG A:502;
A:501;
Invalid;
Invalid;
none;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
AMR A:507;
A:509;
A:508;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
229.627 C6 H8 Cl N7 O c1(c(...
CL A:503;
Invalid;
none;
submit data
35.453 Cl [Cl-]
NA C:201;
A:504;
A:505;
Part of Protein;
Invalid;
Part of Protein;
none;
none;
none;
submit data
22.99 Na [Na+]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4NTX 2.27 Å NON-ENZYME: OTHER STRUCTURE OF ACID-SENSING ION CHANNEL IN COMPLEX WITH SNAKE AMILORIDE GALLUS GALLUS KUNITZ PHOSPHOLIPASE A2-LIKE ION CHANNEL NOCICEPTION MEMTRANSPORT PROTEIN-TOXIN COMPLEX
Ref.: X-RAY STRUCTURE OF ACID-SENSING ION CHANNEL 1-SNAKE COMPLEX REVEALS OPEN STATE OF A NA(+)-SELECTIVE CHA CELL(CAMBRIDGE,MASS.) V. 156 717 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 4NTX - AMR C6 H8 Cl N7 O c1(c(nc(c(....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 4NTX - AMR C6 H8 Cl N7 O c1(c(nc(c(....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 4NTX - AMR C6 H8 Cl N7 O c1(c(nc(c(....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: AMR; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 AMR 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4NTX; Ligand: AMR; Similar sites found: 18
This union binding pocket(no: 1) in the query (biounit: 4ntx.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5IXJ THR 0.002683 0.46953 3.28283
2 5A89 FMN 0.009669 0.44019 3.84615
3 5A89 ADP 0.009669 0.44019 3.84615
4 4BV6 FAD 0.04995 0.42577 5.33333
5 2Q2Y MKR 0.02743 0.42241 5.72207
6 2Q2Y ADP 0.02743 0.42241 5.72207
7 1S7G APR 0.04482 0.4044 6.32411
8 3RIY NAD 0.03759 0.41668 10.084
9 2YNC YNC 0.04275 0.41253 11.7647
10 3VCY UD1 0.0289 0.41496 13.3333
11 5A3T MMK 0.007481 0.40447 13.3333
12 3WXM GTP 0.02847 0.40361 13.3333
13 4RD0 GDP 0.02476 0.40222 16.6667
14 5LIA 6XN 0.00825 0.42979 21.0084
15 1WG8 SAM 0.01572 0.42343 21.0084
16 3B4Y F42 0.04541 0.41583 21.6667
17 2VB6 ADP BEF 0.01874 0.41422 23.3333
18 4OTH DRN 0.01763 0.40382 26.6667
Pocket No.: 2; Query (leader) PDB : 4NTX; Ligand: AMR; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 4ntx.bio1) has 3 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4NTX; Ligand: AMR; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 4ntx.bio1) has 3 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4NTX; Ligand: AMR; Similar sites found: 217
This union binding pocket(no: 4) in the query (biounit: 4ntx.bio2) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3HQJ COA 0.004062 0.42015 1.53846
2 2EWM NAD 0.0168 0.41007 2.40964
3 4NTD FAD 0.03071 0.40548 2.64706
4 1ZK7 FAD 0.01803 0.42239 2.88889
5 2F3R G5P 0.01539 0.42723 2.89855
6 1B66 BIO 0.01112 0.4069 3.33333
7 1IYE PGU 0.0256 0.40185 3.36134
8 1T26 GBD 0.01649 0.44794 3.41615
9 1T26 NAI 0.01649 0.44794 3.41615
10 2JBZ COA 0.04576 0.40365 3.4965
11 1G7V PAI 0.03461 0.40399 3.52113
12 1UQX MMA 0.01082 0.41054 3.53982
13 4JCA CIT 0.02674 0.40035 3.59281
14 4AF0 IMP 0.01918 0.42272 3.77778
15 1QJC PNS 0.04498 0.4083 3.79747
16 1NXJ TLA 0.003183 0.4215 3.82514
17 1NXJ GLV 0.00239 0.41546 3.82514
18 2PWY SAH 0.00344 0.4305 3.87597
19 1UXG FUM 0.02631 0.40859 3.8835
20 1UXG NAD 0.02631 0.40859 3.8835
21 3LZW NAP 0.01778 0.43076 4.21687
22 3LZW FAD 0.01865 0.41548 4.21687
23 3FSJ D7K 0.03242 0.42345 4.22222
24 1G6O ADP 0.02402 0.42246 4.24242
25 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 0.003019 0.42136 4.42177
26 4LTN NAI 0.003137 0.45969 4.56853
27 3EJ0 11X 0.002532 0.40995 4.59184
28 3ZZS TRP 0.003825 0.44368 4.61538
29 1CR1 TTP 0.03238 0.42348 4.72973
30 3FSY SCA 0.002231 0.45602 4.81928
31 2RDT 2RD 0.00351 0.46944 5
32 3HU3 AGS 0.004263 0.46267 5
33 1JQ5 NAD 0.02077 0.45274 5
34 1JA9 NDP 0.01269 0.44348 5
35 2RDT FMN 0.02917 0.4184 5
36 2QA1 FAD 0.02406 0.40743 5
37 1U7Z PMT 0.001579 0.45854 5.04202
38 1ZFJ IMP 0.02545 0.43924 5.04202
39 3MB5 SAM 0.02881 0.41584 5.04202
40 3WBF NAP 0.01699 0.40741 5.04202
41 3WBF API 0.02163 0.40741 5.04202
42 2H6T IVA VAL VAL STA ALA STA 0.009985 0.40176 5.04202
43 4K5S FAD 0.0311 0.40025 5.04202
44 1H6W SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 0.01736 0.42593 5.12821
45 1DUC DUD 0.005073 0.41891 5.22388
46 1BTN I3P 0.002387 0.47216 5.66038
47 3E5P PPI 0.02592 0.40047 5.66038
48 3D3W NAP 0.01857 0.40812 5.7377
49 2BNF UTP 0.00732 0.43412 5.80913
50 2A0W DIH 0.002145 0.45321 5.88235
51 3OIG NAD 0.02195 0.42699 5.88235
52 3OIG IMJ 0.008019 0.42685 5.88235
53 4A3R CIT 0.01242 0.42051 5.88235
54 3H86 AP5 0.02948 0.41714 5.88235
55 1O6B ADP 0.03935 0.4056 5.88235
56 2YCJ C2F 0.0071 0.40375 5.88235
57 1W55 GPP 0.005066 0.40981 5.92992
58 2BNE U5P 0.01994 0.40955 6.22407
59 3Q3C NAD 0.002355 0.46895 6.35452
60 1SS4 CIT 0.002654 0.49886 6.53595
61 1SS4 GSH 0.0009319 0.49748 6.53595
62 1I9G SAM 0.001844 0.46866 6.66667
63 4KQL 1SG 0.004492 0.46157 6.66667
64 2ZWS PLM 0.01434 0.42253 6.66667
65 3Q2I HP7 0.04695 0.41211 6.66667
66 4I9A NCN 0.001044 0.46099 6.72269
67 1V1A KDG 0.0006512 0.45679 6.72269
68 4IAE 1DX 0.008233 0.44125 6.72269
69 2YYJ 4HP 0.03809 0.42504 6.72269
70 2YYJ FAD 0.03809 0.42504 6.72269
71 2OWZ CIT 0.007151 0.41515 6.72269
72 2WIC GNP 0.008653 0.41398 6.72269
73 2PY4 DUP 0.03324 0.40526 6.72269
74 1OMZ UD2 0.0003896 0.498 6.82594
75 2BGM NAJ 0.001766 0.4781 7.19424
76 3VKX T3 0.0001454 0.48443 7.27969
77 1Q3Q ANP 0.0002138 0.52184 7.56302
78 1VQ2 DDN 0.0005998 0.50366 7.56302
79 1X1T NAD 0.007351 0.45626 7.56302
80 2QIA U20 0.01349 0.43339 7.56302
81 1HFS L04 0.007302 0.42749 7.56302
82 2ZI8 SDT 0.008236 0.42136 7.56302
83 4QDC ASD 0.02067 0.4017 7.56302
84 3KPE TM3 0.001292 0.43151 7.69231
85 4Q3F TLA 0.003333 0.40965 7.69231
86 1NU4 MLA 0.001722 0.40061 8.24742
87 1DXY NAD 0.001996 0.49309 8.33333
88 1RY2 AMP 0.0008547 0.46004 8.33333
89 3TO7 COA 0.002207 0.45792 8.33333
90 2QXX TTP 0.006083 0.43456 8.33333
91 3K37 BCZ 0.0391 0.42254 8.33333
92 4B7J G39 0.01443 0.41535 8.33333
93 2NLI LAC 0.03139 0.41407 8.33333
94 2NLI FMN 0.03139 0.41407 8.33333
95 2HCR AMP 0.003549 0.41254 8.33333
96 4CML 52N 0.01683 0.40565 8.33333
97 1PKK DCP 0.01457 0.40185 8.33333
98 1ML4 PAL 0.0005365 0.46618 8.40336
99 2HMT NAI 0.0114 0.43337 8.40336
100 1E7S NAP 0.01511 0.41331 8.40336
101 1MVN PCO 0.003834 0.46164 9.09091
102 1LCP PLU 0.003557 0.43309 9.11111
103 2H6B 3C4 0.04274 0.41037 9.2
104 1YOE RIB 0.0006518 0.47001 9.2437
105 4QN7 G39 0.001018 0.46966 9.2437
106 1P4C FMN 0.03062 0.42356 9.2437
107 1JCM 137 0.01358 0.41174 9.2437
108 1V2G OCA 0.005406 0.40631 9.2437
109 1GSA ADP 0.000577 0.49413 9.49367
110 1GSA GSH 0.0118 0.42749 9.49367
111 2PJL 047 0.02651 0.40394 9.7166
112 2BJK NAD 0.0001237 0.52994 10
113 1D3V ABH 0.0005292 0.4691 10
114 4Q3R XA2 0.001263 0.45267 10
115 1KWK GAL 0.001492 0.43847 10
116 3QVL 5HY 0.01174 0.43512 10
117 1XHL NDP 0.00532 0.43365 10
118 1SSQ CYS 0.01128 0.43236 10
119 2P8B NSK 0.04592 0.4292 10
120 1C3M MAN MAN 0.00206 0.42591 10
121 4LCQ URQ 0.008848 0.41999 10
122 4NE2 SH2 0.01444 0.41752 10
123 2J07 FAD 0.02842 0.41539 10
124 2J07 HDF 0.02842 0.41539 10
125 1RM4 NDP 0.03963 0.41452 10
126 1R37 NAD 0.02177 0.40835 10
127 1ULE GLA GAL NAG 0.01125 0.40429 10
128 1IM8 SAI 0.01284 0.40257 10
129 1DKU AP2 0.001711 0.44929 10.0946
130 3IU9 T07 0.00437 0.46003 10.4167
131 2JE7 XMM 0.01396 0.40856 10.8787
132 1EDO NAP 0.007277 0.45528 10.9244
133 1BDB NAD 0.01498 0.44109 10.9244
134 2AEB ABH 0.005602 0.43445 10.9244
135 4HZX G39 0.009782 0.42935 10.9244
136 4P3H 25G 0.01578 0.42426 10.9244
137 4AIG FLX 0.004654 0.40648 10.9244
138 1N6B DMZ 0.03545 0.40166 10.9244
139 1OTH PAO 0.00003196 0.53287 11.215
140 4JP3 CIT 0.01403 0.41591 11.2971
141 4G87 UD1 0.0002778 0.50746 11.6667
142 4MWV BCZ 0.001272 0.46769 11.6667
143 2C1Q BTN 0.001648 0.46482 11.6667
144 1NVU GTP 0.02152 0.42475 11.6667
145 3CL7 HYN 0.005488 0.42334 11.6667
146 4C0C WVH 0.03828 0.40617 11.6667
147 4KCT PYR 0.001746 0.40237 11.6667
148 4O8A FAD 0.02522 0.40214 11.6667
149 2Q2V NAD 0.02882 0.40175 11.6667
150 2ZB3 NDP 0.02334 0.40127 11.6667
151 2VJJ RAM GLC GAL NAG NAG GLC 0.0005207 0.49765 11.7647
152 2BLE 5GP 0.003843 0.46343 11.7647
153 3HZS M0E 0.01696 0.42019 11.7647
154 2V6O FAD 0.04161 0.42018 11.7647
155 1OD6 PNS 0.02441 0.42001 11.7647
156 3PVT 3HC 0.02041 0.41271 11.7647
157 3NBK PNS 0.02136 0.40654 11.8644
158 4AAW R84 0.01776 0.4243 12
159 2HV8 GTP 0.009676 0.41264 12.2093
160 4NVP 7CH 0.002823 0.44965 12.9187
161 1WVC CTP 0.001391 0.49767 13.3333
162 4C25 13P 0.008878 0.41992 13.3333
163 1OWB NAD 0.009838 0.41986 13.3333
164 4U36 TNR 0.016 0.40313 13.3333
165 2ZX7 ZX7 0.02505 0.4017 13.3333
166 1MG1 MAL 0.0005934 0.46149 13.4454
167 1R6D NAD 0.02414 0.42166 13.4454
168 1LTH NAD 0.03261 0.41865 13.4454
169 4MZ7 DGT 0.01727 0.40834 13.4454
170 4MZ7 DTP 0.02319 0.40261 13.4454
171 2PAR TMP 0.04439 0.40191 13.4454
172 1LTH FBP 0.001773 0.40061 13.4454
173 1NPL MAN 0.005932 0.41863 13.7615
174 2VBQ BSJ 0.02186 0.40828 13.9394
175 4IVG ANP 0.001183 0.48135 14.2857
176 4F8L GAL 0.001244 0.47811 14.2857
177 1FS5 TLA 0.00261 0.44125 14.2857
178 3M0J OAF 0.003668 0.43959 14.2857
179 3EM1 TYD 0.0002746 0.47874 14.3836
180 1OFH ADP 0.005686 0.45456 15
181 3FC2 IBI 0.002931 0.44259 15
182 3O03 NAP 0.01545 0.43303 15
183 2V5E SCR 0.007679 0.42744 15
184 2YVF NAD 0.02549 0.4251 15
185 1OLS TDP 0.01661 0.42322 15
186 4N02 FNR 0.02542 0.41988 15
187 4KS1 2H8 0.03995 0.40449 15
188 3MBG FAD 0.01875 0.40154 15
189 4CMF PXG 0.002663 0.46476 15.126
190 4G1V FAD 0.01702 0.44769 15.126
191 1RZM E4P 0.0008737 0.44628 15.9664
192 3CKZ ZMR 0.00734 0.43703 16.6667
193 1EXB NDP 0.02501 0.43011 16.6667
194 4DA6 GA2 0.0175 0.42906 16.6667
195 3CXO 3LR 0.007591 0.42293 16.6667
196 3CXO 1N5 0.02302 0.40393 16.6667
197 1GEX PLP HSA 0.01896 0.40133 16.6667
198 1D09 PAL 0.03964 0.43251 16.9935
199 1OAA OAA 0.01185 0.4292 18.5328
200 3S9K CIT 0.04529 0.40911 18.6441
201 3MMR ABH 0.001535 0.4794 20
202 4KCF FMN 0.0007833 0.47727 20
203 4OYA 1VE 0.01033 0.45997 20
204 1YBH FAD 0.02006 0.44093 20
205 4KCF AKM 0.0113 0.43515 20
206 4N4J HG1 0.009041 0.43141 21.6667
207 1DLJ NAI 0.02686 0.41729 21.6667
208 2IMP NAI 0.01015 0.4527 23.3333
209 3OND NAD 0.02219 0.41973 25
210 3OND ADN 0.02219 0.41973 25
211 4M5P MLA 0.02312 0.40352 25
212 4GQB 0XU 0.008411 0.44276 30
213 2GJ3 FAD 0.02514 0.40163 30
214 1QW9 KHP 0.0008048 0.46118 31.6667
215 1F8F NAD 0.04487 0.40935 33.3333
216 2X61 CH 0.00133 0.46907 36.6667
217 2X61 NGA GAL SIA 0.0222 0.42545 36.6667
Pocket No.: 5; Query (leader) PDB : 4NTX; Ligand: AMR; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 4ntx.bio2) has 6 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 4NTX; Ligand: AMR; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 4ntx.bio2) has 6 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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