BMRBj - BMREntryMaster

Found 1 Document (0.503 seconds)

BMRB: 27067

6H2C

BlaC

Authors

Elings, W., Ubbink, M.

Assembly

BlaC

Entity

1. BlaC (polymer, Thiol state: unknown), 274 monomers, 29439.73 Da Detail

MDLADRFAEL ERRYDARLGV YVPATGTTAA IEYRADERFA FCSTFKAPLV AAVLHQNPLT HLDKLITYTS DDIRSISPVA QQHVQTGMTI GQLCDAAIRY SDGTAANLLL ADLGGPGGGT AAFTGYLRSL GDTVSRLDAE EPELNRDPPG DERDTTTPHA IALVLQQLVL GNALPPDKRA LLTDWMARNT TGAKRIRAGF PADWKVIDKT GTGDYGRAND IAVVWSPTGV PYVVAVMSDR AGGGYDAEPR EALLAEAATC VAGVLALEHH HHHH

Formula weight

29439.73 Da

Source organism

Mycobacterium tuberculosis

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 97.4 %, Completeness: 48.8 %, Completeness (bb): 81.0 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	48.8 % (1455 of 2981)	26.3 % (400 of 1521)	67.7 % (802 of 1185)	92.0 % (253 of 275)
Backbone	81.0 % (1307 of 1614)	51.5 % (287 of 557)	96.5 % (770 of 798)	96.5 % (250 of 259)
Sidechain	24.1 % (390 of 1617)	11.8 % (114 of 964)	42.9 % (273 of 637)	18.8 % (3 of 16)
Aromatic	12.5 % (26 of 208)	13.5 % (14 of 104)	10.9 % (11 of 101)	33.3 % (1 of 3)
Methyl	19.5 % (68 of 348)	11.5 % (20 of 174)	27.6 % (48 of 174)

1. BlaC

Show sample condition

Sample

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0

#	Name	Isotope labeling	Concentration
1	BlaC	[U-100% 13C; U-100% 15N; U-80% 2H]	0.75 mM
2	MES	natural abundance	20 mM
3	DTT	natural abundance	1 mM
4	D2O	[U-2H]	6 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.7 ppm	internal	indirect	0.2514495
¹H	water	protons	4.7 ppm	internal	direct	1.0
¹⁵N	water	protons	4.7 ppm	internal	indirect	0.1013291

Referencing offset: 0.43 ppm, Outliers: 6 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.7 ppm	internal	indirect	0.2514495
¹H	water	protons	4.7 ppm	internal	direct	1.0
¹⁵N	water	protons	4.7 ppm	internal	indirect	0.1013291

Referencing offset: 0.43 ppm, Outliers: 6 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.7 ppm	internal	indirect	0.2514495
¹H	water	protons	4.7 ppm	internal	direct	1.0
¹⁵N	water	protons	4.7 ppm	internal	indirect	0.1013291

Referencing offset: 0.19 ppm, Outliers: 1 Detail

Release date

2017-04-06

Citation 1

The CCPN data model for NMR spectroscopy: development of a software pipeline
Vranken, W.F., Boucher, W., Stevens, T.J., Fogh, R.H., Pajon, A., Llinas, M., Ulrich, E.L., Markley, J.L., Ionides, J., Laue, E.D.
Proteins (2005), 59, 687-696, PubMed 15815974 , DOI 10.1002/prot.20449 , Abstract

Show more 2 citaions

Citation 2

Phosphate Promotes the Recovery of Mycobacterium tuberculosis β-Lactamase from Clavulanic Acid Inhibition
Elings, W., Tassoni, R., van der Schoot, S.A., Luu, W., Kynast, J.P., Dai, L., Blok, A.J., Timmer, M., Florea, B.I., Pannu, N.S., Ubbink, M.
Biochemistry (2017), 56, 6257-6267, PubMed 29087696 , DOI 10.1021/acs.biochem.7b00556 , Abstract

Citation 3

The structure of beta-lactamases
Ambler, R.P., Coulson, A.FW.
Philos. Trans. R. Soc. Lond. B. Biol. Sci. (1980), 289, 321-331, PubMed 6109327 , Abstract

Hide non-primary 2 citaions

Entries sharing articles BMRB: 4 entries Detail

  BMRB: 27929 released on 2019-05-28
    Title BlaC bound to avibactam
  BMRB: 27888 released on 2019-05-01
    Title BlaC in free form
  BMRB: 27890 released on 2019-05-01
    Title BlaC in bound to clavulanic acid
  BMRB: 7106 released on 2006-08-14
    Title NMR Assignment of human RGS18 (regulator of G-protein signalling)

Related entities 1. BlaC, : 1 : 6 : 2 : 66 : 84 entities Detail

Experiments performed 6 experiments Detail

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr27067_3.str
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	None
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Warning

Disulfide bonds

None

Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)

None

Non-standard residues

None

Content subtype: bmr27067_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	1265		97.1 (chain: 1, length: 274)
1	Chemical shift references	chemical_shift_reference_HNCaCb	OK	3		No information

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 274, Sequence coverage: 97.1%
- Total number of assignments
  - ¹³C chemical shifts: 769
  - ¹H chemical shifts: 248
  - ¹⁵N chemical shifts: 248
- Completeness of assignments
  - Entity_assemble_ID: 1
- Redox state of CYS
- Peptide bond of PRO
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	1185	769	64.9
¹H chemical shifts	1521	248	16.3
¹⁵N chemical shifts	294	248	84.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	548	530	96.7
¹H chemical shifts	557	248	44.5
¹⁵N chemical shifts	259	248	95.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	637	239	37.5
¹H chemical shifts	964	0	0.0
¹⁵N chemical shifts	35	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	178	39	21.9
¹H chemical shifts	178	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	101	0	0.0
¹H chemical shifts	104	0	0.0
¹⁵N chemical shifts	3	0	0.0

Keywords BlaC, inhibition

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Found 1 Document (0.503 seconds)

BMRB: 27067

Sample

Chemical shift reference

Chemical shift reference

Chemical shift reference

Entries sharing articles BMRB: 4 entries Detail

Related entities 1. BlaC, : 1 : 6 : 2 : 66 : 84 entities Detail

Experiments performed 6 experiments Detail

Instrument

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Chemical shift validation 3 contents Detail