BMRB Entry 19479

Name: Solution Structure of an Active Site Mutant Pepitdyl Carrier Protein
Published: 2014-04-22

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PDB ID: 2md9
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19479
MolProbity Validation Chart

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Nicholas Rego and David Koes
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

Solution Structure of an Active Site Mutant Pepitdyl Carrier Protein

Deposition date:

2013-09-06

Original release date:

2014-04-22

Authors:

Tufar, Peter; Rahighi, Simin; Kraas, Femke; Kirchner, Donata; Loehr, Frank; Henrich, Erik; Koepke, Juergen; Dikic, Ivan; Guentert, Peter; Marahiel, Mohamed; Doetsch, Volker

Citation:

Citation: Tufar, Peter; Rahighi, Simin; Kraas, Femke; Kirchner, Donata; Lohr, Frank; Henrich, Erik; Kopke, Jurgen; Dikic, Ivan; Guntert, Peter; Marahiel, Mohamed; Dotsch, Volker. "Crystal Structure of a PCP/Sfp Complex Reveals the Structural Basis for Carrier Protein Posttranslational Modification." Chem. Biol. 21, 552-562 (2014).
PubMed: 24704508

Assembly members:

Assembly members:
PCP, polymer, 90 residues, 9972.533 Da.

Natural source:

Natural source: Common Name: Bacillus brevis Taxonomy ID: 1393 Superkingdom: Bacteria Kingdom: not available Genus/species: Bacillus brevis

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pQE70

Entity Sequences (FASTA):

Entity Sequences (FASTA):
PCP: PVTEAQYVAPTNAVESKLAE IWERVLGVSGIGILDNFFQI GGHALKAMAVAAQVHREYQV ELPLKVLFAQPTIKALAQYV ATRSHHHHHH

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	292
15N chemical shifts	79
1H chemical shifts	610

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Active Site Mutant Pepitdyl Carrier Protein	1

Entities:

Entity 1, Active Site Mutant Pepitdyl Carrier Protein 90 residues - 9972.533 Da.

M1 is cleaved in vivo during expression. R84-H91 are a non-native.

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

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC aliphatic	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC aromatic	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D H(CCCO)NH-TOCSY	sample_1	isotropic	sample_conditions_1
3D (H)C(CCO)NH-TOCSY	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY aromatic	sample_1	isotropic	sample_conditions_1

UNP	O30409
PDB	1DNY 2GDW 2GDX 2GDY 2K2Q 2MD9 4MRT
AlphaFold	O30409

BMRB Entry 19479

Additional metadata:

Assembly:

Entities:

Samples:

Experiments:

Software:

NMR spectrometers:

Related Database Links:

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

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

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