Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

2Y57

Fragment growing induces conformational changes in acetylcholine- binding protein: A structural and thermodynamic analysis - (Compound 4)

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	0005515	molecular_function	protein binding
A	0006811	biological_process	monoatomic ion transport
A	0015464	molecular_function	acetylcholine receptor activity
A	0016020	cellular_component	membrane
A	0022848	molecular_function	acetylcholine-gated monoatomic cation-selective channel activity
A	0034220	biological_process	monoatomic ion transmembrane transport
A	0035094	biological_process	response to nicotine
A	0042802	molecular_function	identical protein binding
A	0043005	cellular_component	neuron projection
A	0045202	cellular_component	synapse
A	0046872	molecular_function	metal ion binding
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	0005515	molecular_function	protein binding
B	0006811	biological_process	monoatomic ion transport
B	0015464	molecular_function	acetylcholine receptor activity
B	0016020	cellular_component	membrane
B	0022848	molecular_function	acetylcholine-gated monoatomic cation-selective channel activity
B	0034220	biological_process	monoatomic ion transmembrane transport
B	0035094	biological_process	response to nicotine
B	0042802	molecular_function	identical protein binding
B	0043005	cellular_component	neuron projection
B	0045202	cellular_component	synapse
B	0046872	molecular_function	metal ion binding
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	0005515	molecular_function	protein binding
C	0006811	biological_process	monoatomic ion transport
C	0015464	molecular_function	acetylcholine receptor activity
C	0016020	cellular_component	membrane
C	0022848	molecular_function	acetylcholine-gated monoatomic cation-selective channel activity
C	0034220	biological_process	monoatomic ion transmembrane transport
C	0035094	biological_process	response to nicotine
C	0042802	molecular_function	identical protein binding
C	0043005	cellular_component	neuron projection
C	0045202	cellular_component	synapse
C	0046872	molecular_function	metal ion binding
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	0005515	molecular_function	protein binding
D	0006811	biological_process	monoatomic ion transport
D	0015464	molecular_function	acetylcholine receptor activity
D	0016020	cellular_component	membrane
D	0022848	molecular_function	acetylcholine-gated monoatomic cation-selective channel activity
D	0034220	biological_process	monoatomic ion transmembrane transport
D	0035094	biological_process	response to nicotine
D	0042802	molecular_function	identical protein binding
D	0043005	cellular_component	neuron projection
D	0045202	cellular_component	synapse
D	0046872	molecular_function	metal ion binding
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	0005515	molecular_function	protein binding
E	0006811	biological_process	monoatomic ion transport
E	0015464	molecular_function	acetylcholine receptor activity
E	0016020	cellular_component	membrane
E	0022848	molecular_function	acetylcholine-gated monoatomic cation-selective channel activity
E	0034220	biological_process	monoatomic ion transmembrane transport
E	0035094	biological_process	response to nicotine
E	0042802	molecular_function	identical protein binding
E	0043005	cellular_component	neuron projection
E	0045202	cellular_component	synapse
E	0046872	molecular_function	metal ion binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	13
Details	BINDING SITE FOR RESIDUE V37 A 301

Chain	Residue
A	THR89
A	ASP195
B	TYR53
B	GLN55
B	ILE116
A	LYS141
A	GLY143
A	SER144
A	TRP145
A	TYR186
A	CYS188
A	CYS189
A	TYR193

site_id	AC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 A 601

Chain	Residue
A	LYS141
A	GLN182
A	GLN184
A	ASN197

site_id	AC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 A 602

Chain	Residue
A	TYR167
A	SER169
E	ASP126
E	THR137

site_id	AC4
Number of Residues	13
Details	BINDING SITE FOR RESIDUE V37 B 301

Chain	Residue
B	THR89
B	LYS141
B	GLY143
B	SER144
B	TRP145
B	TYR186
B	CYS188
B	CYS189
B	TYR193
B	ASP195
C	TYR53
C	GLN55
C	ILE116

site_id	AC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 B 601

Chain	Residue
B	HIS185
C	ASP126
D	TYR167
D	SER169

site_id	AC6
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SO4 B 602

Chain	Residue
B	PRO102
B	GLN103

site_id	AC7
Number of Residues	12
Details	BINDING SITE FOR RESIDUE V37 C 301

Chain	Residue
C	THR89
C	TYR91
C	LYS141
C	GLY143
C	SER144
C	TRP145
C	TYR186
C	CYS188
C	CYS189
C	TYR193
D	GLN55
D	ILE116

site_id	AC8
Number of Residues	1
Details	BINDING SITE FOR RESIDUE CL C 501

Chain	Residue
D	LYS40

site_id	AC9
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SO4 C 601

Chain	Residue
C	PRO102
C	GLN103

site_id	BC1
Number of Residues	13
Details	BINDING SITE FOR RESIDUE V37 D 301

Chain	Residue
D	THR89
D	LYS141
D	GLY143
D	SER144
D	TRP145
D	TYR186
D	CYS188
D	CYS189
D	TYR193
D	ASP195
E	TYR53
E	GLN55
E	ILE116

site_id	BC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 D 601

Chain	Residue
D	GLN182
D	GLN184
D	ASN197

site_id	BC3
Number of Residues	13
Details	BINDING SITE FOR RESIDUE V37 E 301

Chain	Residue
A	TYR53
A	GLN55
A	ILE116
E	THR89
E	LYS141
E	GLY143
E	SER144
E	TRP145
E	TYR186
E	CYS188
E	CYS189
E	TYR193
E	ASP195

site_id	BC4
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 E 601

Chain	Residue
D	ASP126
E	TYR167
E	SER169

site_id	BC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 E 602

Chain	Residue
E	LYS141
E	GLN182
E	GLN184
E	ASN197

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