Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

2XNV

Acetylcholine binding protein (AChBP) as template for hierarchical in silico screening procedures to identify structurally novel ligands for the nicotinic receptors

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004888	molecular_function	transmembrane signaling receptor activity
A	0005216	molecular_function	monoatomic ion channel activity
A	0005230	molecular_function	extracellular ligand-gated monoatomic ion channel activity
A	0006811	biological_process	monoatomic ion transport
A	0016020	cellular_component	membrane
A	0034220	biological_process	monoatomic ion transmembrane transport
B	0004888	molecular_function	transmembrane signaling receptor activity
B	0005216	molecular_function	monoatomic ion channel activity
B	0005230	molecular_function	extracellular ligand-gated monoatomic ion channel activity
B	0006811	biological_process	monoatomic ion transport
B	0016020	cellular_component	membrane
B	0034220	biological_process	monoatomic ion transmembrane transport
C	0004888	molecular_function	transmembrane signaling receptor activity
C	0005216	molecular_function	monoatomic ion channel activity
C	0005230	molecular_function	extracellular ligand-gated monoatomic ion channel activity
C	0006811	biological_process	monoatomic ion transport
C	0016020	cellular_component	membrane
C	0034220	biological_process	monoatomic ion transmembrane transport
D	0004888	molecular_function	transmembrane signaling receptor activity
D	0005216	molecular_function	monoatomic ion channel activity
D	0005230	molecular_function	extracellular ligand-gated monoatomic ion channel activity
D	0006811	biological_process	monoatomic ion transport
D	0016020	cellular_component	membrane
D	0034220	biological_process	monoatomic ion transmembrane transport
E	0004888	molecular_function	transmembrane signaling receptor activity
E	0005216	molecular_function	monoatomic ion channel activity
E	0005230	molecular_function	extracellular ligand-gated monoatomic ion channel activity
E	0006811	biological_process	monoatomic ion transport
E	0016020	cellular_component	membrane
E	0034220	biological_process	monoatomic ion transmembrane transport
F	0004888	molecular_function	transmembrane signaling receptor activity
F	0005216	molecular_function	monoatomic ion channel activity
F	0005230	molecular_function	extracellular ligand-gated monoatomic ion channel activity
F	0006811	biological_process	monoatomic ion transport
F	0016020	cellular_component	membrane
F	0034220	biological_process	monoatomic ion transmembrane transport
G	0004888	molecular_function	transmembrane signaling receptor activity
G	0005216	molecular_function	monoatomic ion channel activity
G	0005230	molecular_function	extracellular ligand-gated monoatomic ion channel activity
G	0006811	biological_process	monoatomic ion transport
G	0016020	cellular_component	membrane
G	0034220	biological_process	monoatomic ion transmembrane transport
H	0004888	molecular_function	transmembrane signaling receptor activity
H	0005216	molecular_function	monoatomic ion channel activity
H	0005230	molecular_function	extracellular ligand-gated monoatomic ion channel activity
H	0006811	biological_process	monoatomic ion transport
H	0016020	cellular_component	membrane
H	0034220	biological_process	monoatomic ion transmembrane transport
I	0004888	molecular_function	transmembrane signaling receptor activity
I	0005216	molecular_function	monoatomic ion channel activity
I	0005230	molecular_function	extracellular ligand-gated monoatomic ion channel activity
I	0006811	biological_process	monoatomic ion transport
I	0016020	cellular_component	membrane
I	0034220	biological_process	monoatomic ion transmembrane transport
J	0004888	molecular_function	transmembrane signaling receptor activity
J	0005216	molecular_function	monoatomic ion channel activity
J	0005230	molecular_function	extracellular ligand-gated monoatomic ion channel activity
J	0006811	biological_process	monoatomic ion transport
J	0016020	cellular_component	membrane
J	0034220	biological_process	monoatomic ion transmembrane transport

Functional Information from PDB Data

site_id	AC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE VU3 A 301

Chain	Residue
A	TYR91
A	TRP145
A	CYS188
A	CYS189
A	TYR193
B	ILE116

site_id	AC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE VU3 B 301

Chain	Residue
C	GLN55
C	MET114
C	ILE116
B	TRP145
B	TYR186
B	CYS188

site_id	AC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE VU3 C 301

Chain	Residue
C	TRP145
C	TYR186
C	CYS189
C	TYR193
D	ILE116

site_id	AC4
Number of Residues	8
Details	BINDING SITE FOR RESIDUE VU3 D 301

Chain	Residue
D	TYR91
D	SER144
D	TRP145
D	TYR186
D	CYS189
D	TYR193
E	TYR53
E	ILE116

site_id	AC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE VU3 E 301

Chain	Residue
A	TYR53
A	ILE116
E	TYR91
E	TRP145
E	TYR193

site_id	AC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE VU3 F 301

Chain	Residue
F	TYR91
F	TRP145
F	TYR186
F	CYS189
F	TYR193
G	ILE116

site_id	AC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE VU3 G 301

Chain	Residue
G	TRP145
G	TYR186
G	CYS188
H	ILE116

site_id	AC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE VU3 H 301

Chain	Residue
H	TYR91
H	TRP145
H	CYS188
H	CYS189
I	ILE116

site_id	AC9
Number of Residues	8
Details	BINDING SITE FOR RESIDUE VU3 I 301

Chain	Residue
I	TYR91
I	TRP145
I	TYR186
I	CYS189
I	TYR193
J	GLN55
J	MET114
J	ILE116

site_id	BC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE VU3 J 301

Chain	Residue
F	MET114
F	ILE116
J	TYR91
J	TRP145
J	TYR186
J	TYR193

		Sequence (fasta)
		PDBx/mmCIF
		PDBML format (no-atom)
		PDB format (full)
		Validation report (PDF)
		EDMap 2fo-fc (MTZ)