BMRB Entry 26504

Name: A Dynamic Pharmacophore Drives the Interaction between Psalmotoxin-1 and the Putative Drug Target Acid-Sensing Ion Channel 1a
Published: 2015-01-27

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR26504

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Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

A Dynamic Pharmacophore Drives the Interaction between Psalmotoxin-1 and the Putative Drug Target Acid-Sensing Ion Channel 1a

Deposition date:

2015-01-15

Original release date:

2015-01-27

Authors:

Saez, Natalie; Mobli, Mehdi; Bieri, Michael; Chassagnon, Irene; Malde, Alpeshkumar; Gamsjaeger, Roland; Mark, Alan; Gooley, Paul; Rash, Lachlan; King, Glenn

Citation:

Citation: Saez, Natalie; Mobli, Mehdi; Bieri, Michael; Chassagnon, Irene; Malde, Alpeshkumar; Gamsjaeger, Roland; Mark, Alan; Gooley, Paul; Rash, Lachlan; King, Glenn. "A Dynamic Pharmacophore Drives the Interaction between Psalmotoxin-1 and the Putative Drug Target Acid-Sensing Ion Channel 1a" Mol. Pharmacol. 80, 796-808 (2011).
PubMed: 21825095

Assembly members:

Assembly members:
TRTX-Pc1a, polymer, 40 residues, Formula weight is not available

Natural source:

Natural source: Common Name: Trinidad chevron tarantula Taxonomy ID: 179874 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Psalmopoeus cambridgei

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: BL21(DE3)

Entity Sequences (FASTA):

Entity Sequences (FASTA):
TRTX-Pc1a: EDCIPKWKGCVNRHGDCCEG LECWKRRRSFEVCVPKTPKT

Data sets:

order_parameters
- order_parameter_list_1

Data type	Count
order parameters	31

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	TRTX-Pc1a	1

Entities:

Entity 1, TRTX-Pc1a 40 residues - Formula weight is not available

1	GLU	ASP	CYS	ILE	PRO	LYS	TRP	LYS	GLY	CYS
2	VAL	ASN	ARG	HIS	GLY	ASP	CYS	CYS	GLU	GLY
3	LEU	GLU	CYS	TRP	LYS	ARG	ARG	ARG	SER	PHE
4	GLU	VAL	CYS	VAL	PRO	LYS	THR	PRO	LYS	THR

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
HNCO	sample_1	isotropic	sample_conditions_1
3D H(CC)(CO)NH- TOCSY	sample_1	isotropic	sample_conditions_1
(H)CC(CO)NH-TOCSY	sample_1	isotropic	sample_conditions_1
HCC(CO)NH-TOCSY	sample_1	isotropic	sample_conditions_1

BMRB	16468
PDB	1LMM 2KNI 3S3X 4FZ0 4FZ1
SP	P60514
AlphaFold	P60514

BMRB Entry 26504

Additional metadata:

Assembly:

Entities:

Samples:

Experiments:

Software:

NMR spectrometers:

Related Database Links:

1	GLU	ASP	CYS	ILE	PRO	LYS	TRP	LYS	GLY	CYS
2	VAL	ASN	ARG	HIS	GLY	ASP	CYS	CYS	GLU	GLY
3	LEU	GLU	CYS	TRP	LYS	ARG	ARG	ARG	SER	PHE
4	GLU	VAL	CYS	VAL	PRO	LYS	THR	PRO	LYS	THR

1	GLU	ASP	CYS	ILE	PRO	LYS	TRP	LYS	GLY	CYS
2	VAL	ASN	ARG	HIS	GLY	ASP	CYS	CYS	GLU	GLY
3	LEU	GLU	CYS	TRP	LYS	ARG	ARG	ARG	SER	PHE
4	GLU	VAL	CYS	VAL	PRO	LYS	THR	PRO	LYS	THR

1	GLU	ASP	CYS	ILE	PRO	LYS	TRP	LYS	GLY	CYS
2	VAL	ASN	ARG	HIS	GLY	ASP	CYS	CYS	GLU	GLY
3	LEU	GLU	CYS	TRP	LYS	ARG	ARG	ARG	SER	PHE
4	GLU	VAL	CYS	VAL	PRO	LYS	THR	PRO	LYS	THR