Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

2BR8

Crystal Structure of Acetylcholine-binding Protein (AChBP) from Aplysia californica in complex with an alpha-conotoxin PnIA variant

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	0016020	cellular_component	membrane
A	0034220	biological_process	monoatomic ion transmembrane transport
A	0042802	molecular_function	identical protein binding
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	0016020	cellular_component	membrane
B	0034220	biological_process	monoatomic ion transmembrane transport
B	0042802	molecular_function	identical protein binding
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	0016020	cellular_component	membrane
C	0034220	biological_process	monoatomic ion transmembrane transport
C	0042802	molecular_function	identical protein binding
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	0016020	cellular_component	membrane
D	0034220	biological_process	monoatomic ion transmembrane transport
D	0042802	molecular_function	identical protein binding
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	0016020	cellular_component	membrane
E	0034220	biological_process	monoatomic ion transmembrane transport
E	0042802	molecular_function	identical protein binding
E	0046872	molecular_function	metal ion binding
F	0005515	molecular_function	protein binding
F	0005576	cellular_component	extracellular region
F	0030550	molecular_function	acetylcholine receptor inhibitor activity
F	0035792	cellular_component	host cell postsynaptic membrane
F	0035821	biological_process	modulation of process of another organism
F	0090729	molecular_function	toxin activity
F	0099106	molecular_function	ion channel regulator activity
G	0005515	molecular_function	protein binding
G	0005576	cellular_component	extracellular region
G	0030550	molecular_function	acetylcholine receptor inhibitor activity
G	0035792	cellular_component	host cell postsynaptic membrane
G	0035821	biological_process	modulation of process of another organism
G	0090729	molecular_function	toxin activity
G	0099106	molecular_function	ion channel regulator activity
H	0005515	molecular_function	protein binding
H	0005576	cellular_component	extracellular region
H	0030550	molecular_function	acetylcholine receptor inhibitor activity
H	0035792	cellular_component	host cell postsynaptic membrane
H	0035821	biological_process	modulation of process of another organism
H	0090729	molecular_function	toxin activity
H	0099106	molecular_function	ion channel regulator activity
I	0005515	molecular_function	protein binding
I	0005576	cellular_component	extracellular region
I	0030550	molecular_function	acetylcholine receptor inhibitor activity
I	0035792	cellular_component	host cell postsynaptic membrane
I	0035821	biological_process	modulation of process of another organism
I	0090729	molecular_function	toxin activity
I	0099106	molecular_function	ion channel regulator activity
J	0005515	molecular_function	protein binding
J	0005576	cellular_component	extracellular region
J	0030550	molecular_function	acetylcholine receptor inhibitor activity
J	0035792	cellular_component	host cell postsynaptic membrane
J	0035821	biological_process	modulation of process of another organism
J	0090729	molecular_function	toxin activity
J	0099106	molecular_function	ion channel regulator activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	8
Details	BINDING SITE FOR RESIDUE SO4 C1206

Chain	Residue
C	TYR186
C	SER187
C	CYS188
C	HOH2059
H	GLY1
H	CYS2
H	TYR15
H	HOH2001

site_id	AC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 E1206

Chain	Residue
E	SER187
E	CYS188
J	GLY1
J	CYS2
J	TYR15
E	TYR186

site_id	AC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 F1018

Chain	Residue
A	TYR186
A	CYS188
F	GLY1
F	CYS2
F	TYR15

site_id	AC4
Number of Residues	7
Details	BINDING SITE FOR RESIDUE SO4 G1018

Chain	Residue
B	TYR186
B	SER187
B	CYS188
G	GLY1
G	CYS2
G	TYR15
G	HOH2004

site_id	AC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 I1018

Chain	Residue
D	TYR186
D	SER187
D	CYS188
I	GLY1
I	CYS2
I	TYR15

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI6
Number of Residues	75
Details	Peptide: {"description":"Alpha-conotoxin PnIA","featureId":"PRO_0000044462","evidences":[{"source":"PubMed","id":"8068627","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

site_id	SWS_FT_FI7
Number of Residues	10
Details	Region: {"description":"Ser-Xaa-Pro motif, crucial for potent interaction with nAChR","evidences":[{"source":"UniProtKB","id":"P56636","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

site_id	SWS_FT_FI8
Number of Residues	5
Details	Site: {"description":"Important for inhibitory potency on alpha-3-beta-2/CHRNA3-CHRNB2 nAChR; interacts with a hydrophobic pocket between the two alpha-7/CHRNA7 subunits or between the alpha-3 and the beta-2 subunits of alpha-3-beta-2/CHRNA3-CHRNB2 nAChR","evidences":[{"source":"PubMed","id":"10545176","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"25101833","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

site_id	SWS_FT_FI9
Number of Residues	5
Details	Site: {"description":"Important for inhibitory potency on alpha-3-beta-2/CHRNA3-CHRNB2 and alpha-7/CHRNA7 nAChR","evidences":[{"source":"PubMed","id":"10545176","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

site_id	SWS_FT_FI10
Number of Residues	5
Details	Modified residue: {"description":"Sulfotyrosine","evidences":[{"source":"PubMed","id":"10226369","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

site_id	SWS_FT_FI11
Number of Residues	5
Details	Modified residue: {"description":"Cysteine amide","evidences":[{"source":"PubMed","id":"8068627","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

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