BMRB Entry 34698

Name: Regulatory domain dimer of tryptophan hydroxylase 2 in complex with L-Phe
Published: 2023-04-25

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PDB ID: 7qri
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34698
MolProbity Validation Chart

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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:

Regulatory domain dimer of tryptophan hydroxylase 2 in complex with L-Phe

Deposition date:

2022-01-11

Original release date:

2023-04-25

Authors:

Vedel, I.; Prestel, A.; Harris, P.; Peters, G.; Kragelund, B.

Citation:

Citation: Vedel, I.; Prestel, A.; Zhang, Z.; Skawinska, N.; Stark, H.; Harris, P.; Kragelund, B.; Peters, G.. "L-Phe is implicated in serotonin biosynthesis: Overrules L-Trp as the superior allosteric regulator of human tryptophan hydroxylase 2" .

Assembly members:

Assembly members:
entity_1, polymer, 100 residues, 11283.862 Da.
entity_PHE, non-polymer, 165.189 Da.

Natural source:

Natural source: Common Name: human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GPGNKGSSKREAATESGKTA VVFSLKNEVGGLVKALRLFQ EKRVNMVHIESRKSRRRSSE VEIFVDCECGKTEFNELIQL LKFQTTIVTLNPPENIWTEE

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1
- assigned_chemical_shifts_2
spectral_peak_list

Data type	Count
13C chemical shifts	341
15N chemical shifts	75
1H chemical shifts	487

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	unit_1	1
2	unit_2	1
3	unit_3	2
4	unit_4	2

Entities:

Entity 1, unit_1 100 residues - 11283.862 Da.

1	GLY	PRO	GLY	ASN	LYS	GLY	SER	SER	LYS	ARG
2	GLU	ALA	ALA	THR	GLU	SER	GLY	LYS	THR	ALA
3	VAL	VAL	PHE	SER	LEU	LYS	ASN	GLU	VAL	GLY
4	GLY	LEU	VAL	LYS	ALA	LEU	ARG	LEU	PHE	GLN
5	GLU	LYS	ARG	VAL	ASN	MET	VAL	HIS	ILE	GLU
6	SER	ARG	LYS	SER	ARG	ARG	ARG	SER	SER	GLU
7	VAL	GLU	ILE	PHE	VAL	ASP	CYS	GLU	CYS	GLY
8	LYS	THR	GLU	PHE	ASN	GLU	LEU	ILE	GLN	LEU
9	LEU	LYS	PHE	GLN	THR	THR	ILE	VAL	THR	LEU
10	ASN	PRO	PRO	GLU	ASN	ILE	TRP	THR	GLU	GLU

Entity 2, unit_3 - C9 H11 N O2 - 165.189 Da.

1

PHE

Name	Sample	Sample state	Sample conditions
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D HN(CO)CACB	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HN(CA)CO	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC aliphatic	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY aliphatic	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY aliphatic 13C/15N filtered	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY 13C/15N filtered	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC aromatic	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC aromatic	sample_2	isotropic	sample_conditions_1
2D 1H-13C HSQC aliphatic	sample_2	isotropic	sample_conditions_1
2D 1H-13C HSQC aliphatic amino acid specific	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_1	isotropic	sample_conditions_1

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks

BMRB Entry 34698

Additional metadata:

Assembly:

Entities:

Samples:

Experiments:

Software:

NMR spectrometers:

1	GLY	PRO	GLY	ASN	LYS	GLY	SER	SER	LYS	ARG
2	GLU	ALA	ALA	THR	GLU	SER	GLY	LYS	THR	ALA
3	VAL	VAL	PHE	SER	LEU	LYS	ASN	GLU	VAL	GLY
4	GLY	LEU	VAL	LYS	ALA	LEU	ARG	LEU	PHE	GLN
5	GLU	LYS	ARG	VAL	ASN	MET	VAL	HIS	ILE	GLU
6	SER	ARG	LYS	SER	ARG	ARG	ARG	SER	SER	GLU
7	VAL	GLU	ILE	PHE	VAL	ASP	CYS	GLU	CYS	GLY
8	LYS	THR	GLU	PHE	ASN	GLU	LEU	ILE	GLN	LEU
9	LEU	LYS	PHE	GLN	THR	THR	ILE	VAL	THR	LEU
10	ASN	PRO	PRO	GLU	ASN	ILE	TRP	THR	GLU	GLU

1	GLY	PRO	GLY	ASN	LYS	GLY	SER	SER	LYS	ARG
2	GLU	ALA	ALA	THR	GLU	SER	GLY	LYS	THR	ALA
3	VAL	VAL	PHE	SER	LEU	LYS	ASN	GLU	VAL	GLY
4	GLY	LEU	VAL	LYS	ALA	LEU	ARG	LEU	PHE	GLN
5	GLU	LYS	ARG	VAL	ASN	MET	VAL	HIS	ILE	GLU
6	SER	ARG	LYS	SER	ARG	ARG	ARG	SER	SER	GLU
7	VAL	GLU	ILE	PHE	VAL	ASP	CYS	GLU	CYS	GLY
8	LYS	THR	GLU	PHE	ASN	GLU	LEU	ILE	GLN	LEU
9	LEU	LYS	PHE	GLN	THR	THR	ILE	VAL	THR	LEU
10	ASN	PRO	PRO	GLU	ASN	ILE	TRP	THR	GLU	GLU

1	GLY	PRO	GLY	ASN	LYS	GLY	SER	SER	LYS	ARG
2	GLU	ALA	ALA	THR	GLU	SER	GLY	LYS	THR	ALA
3	VAL	VAL	PHE	SER	LEU	LYS	ASN	GLU	VAL	GLY
4	GLY	LEU	VAL	LYS	ALA	LEU	ARG	LEU	PHE	GLN
5	GLU	LYS	ARG	VAL	ASN	MET	VAL	HIS	ILE	GLU
6	SER	ARG	LYS	SER	ARG	ARG	ARG	SER	SER	GLU
7	VAL	GLU	ILE	PHE	VAL	ASP	CYS	GLU	CYS	GLY
8	LYS	THR	GLU	PHE	ASN	GLU	LEU	ILE	GLN	LEU
9	LEU	LYS	PHE	GLN	THR	THR	ILE	VAL	THR	LEU
10	ASN	PRO	PRO	GLU	ASN	ILE	TRP	THR	GLU	GLU