BMRB Entry 19755

Name: Structure determination of substrate binding domain of MecA
Published: 2015-02-09

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PDB ID: 2mk6
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19755
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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:

Structure determination of substrate binding domain of MecA

Deposition date:

2014-01-29

Original release date:

2015-02-09

Authors:

Zhang, Yong-hui; Zhang, Yi; Jin, Changwen; Shi, Yigong

Citation:

Citation: Zhang, Yong-hui; Zhang, Yi; Jin, Changwen; Shi, Yigong. "NMR structure and interaction analysis of the substrate binding domain of MecA" Nat. Struct. Biol. ., .-..

Assembly members:

Assembly members:
MecA-NTD, polymer, 90 residues, 10904.278 Da.

Natural source:

Natural source: Common Name: firmicutes Taxonomy ID: 703612 Superkingdom: Bacteria Kingdom: not available Genus/species: Bacillus subtilis

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pYN1

Entity Sequences (FASTA):

Entity Sequences (FASTA):
MecA-NTD: MEIERINEHTVKFYMSYGDI EDRGFDREEIWYNRERSEEL FWEVMDEVHEEEEFAVEGPL WIQVQALDKGLEIIVTKAQL SKDLDKLVPR

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	409
15N chemical shifts	90
1H chemical shifts	618

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	MecA	1

Entities:

Entity 1, MecA 90 residues - 10904.278 Da.

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

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 HNCO	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D HBHA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HN(CO)CA	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY aliphatic	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY aromatic	sample_1	isotropic	sample_conditions_1
3D HCCH-COSY	sample_1	isotropic	sample_conditions_1
3D HN(COCA)CB	sample_1	isotropic	sample_conditions_1

PDB	2MK6 3J3R 3J3S 3J3T 3J3U
DBJ	BAI84705 BAM50072 BAM57340 GAK78855
EMBL	CAB13009 CCU57623 CDH96423 CEI56289 CEJ76712
GB	AAC36956 ADM37217 ADP31634 ADV96142 AEP86108
REF	NP_389034 WP_003224603 WP_003232942 WP_003239278 WP_003245194
SP	P37958
AlphaFold	P37958

BMRB Entry 19755

Additional metadata:

Assembly:

Entities:

Samples:

Experiments:

Software:

NMR spectrometers:

Related Database Links:

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

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

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