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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 1443 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 1205 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 1039 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 with APoc: 44
This union binding pocket(no: 1) in the query (biounit: 4ntx.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 2F3R G5P 2.89855
2 3VZ3 SSN 3.33333
3 5A89 ADP 3.84615
4 5A89 FMN 3.84615
5 6AMI TRP 5
6 1E5Q SHR 5.04202
7 3WQM B29 5.04202
8 4BV6 FAD 5.33333
9 2Q2Y ADP 5.72207
10 2Q2Y MKR 5.72207
11 4GLW 0XT 5.88235
12 1S7G APR 6.32411
13 1IYK MYA 6.66667
14 3DJF BC3 6.66667
15 4LY9 S6P 8.33333
16 2I7C AAT 8.33333
17 2Y5D NAP 8.33333
18 2PT9 2MH 8.33333
19 2PT9 S4M 8.33333
20 4AP3 FAD 8.40336
21 4AP3 NAP 8.40336
22 1W7J ADP BEF 9.27152
23 6BE3 NAG 10
24 5OVX AY5 10
25 3RIY NAD 10.084
26 1YRO GDU 11.3821
27 5O0B 9FE 11.6667
28 1H5Q NAP 11.6667
29 4DP3 MMV 11.7647
30 4DP3 NDP 11.7647
31 2YNC YNC 11.7647
32 3VCY UD1 13.3333
33 5A3T MMK 13.3333
34 3WXM GTP 13.3333
35 2YVJ FAD 15
36 1M2K APR 15
37 4ELG 52J 15.126
38 4ELG 52I 15.126
39 4RD0 GDP 16.6667
40 1WG8 SAM 21.0084
41 3B4Y F42 21.6667
42 2VB6 ADP BEF 23.3333
43 4OTH DRN 26.6667
44 5ZCO PSC 34.7826
Pocket No.: 2; Query (leader) PDB : 4NTX; Ligand: AMR; Similar sites found with APoc: 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 Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4NTX; Ligand: AMR; Similar sites found with APoc: 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 Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4NTX; Ligand: AMR; Similar sites found with APoc: 3
This union binding pocket(no: 4) in the query (biounit: 4ntx.bio2) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 4Z87 5GP 6.66667
2 1N9G NAP 6.72269
3 5X7Q GLC GLC GLC BGC 18.3333
Pocket No.: 5; Query (leader) PDB : 4NTX; Ligand: AMR; Similar sites found with APoc: 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 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 4NTX; Ligand: AMR; Similar sites found with APoc: 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 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 4NTX; Ligand: AMR; Similar sites found with APoc: 8
This union binding pocket(no: 7) in the query (biounit: 4ntx.bio2) has 6 residues
No: Leader PDB Ligand Sequence Similarity
1 1NM5 NAP 3.55556
2 1NM5 NAD 3.55556
3 6BYM HC3 5.04202
4 5V3Y 5V8 6.66667
5 1PNO NAP 8.88889
6 4CVZ TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 11.6667
7 1DJL NAP 17.6471
8 1D4O NAP 17.6471
Pocket No.: 8; Query (leader) PDB : 4NTX; Ligand: AMR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 4ntx.bio2) has 6 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 4NTX; Ligand: AMR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 4ntx.bio2) has 6 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 4NTX; Ligand: AMR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 4ntx.bio2) has 6 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 4NTX; Ligand: AMR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 11) in the query (biounit: 4ntx.bio2) has 6 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 4NTX; Ligand: AMR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 12) in the query (biounit: 4ntx.bio2) has 6 residues
No: Leader PDB Ligand Sequence Similarity
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