BMRBj - BMREntryMaster

Found 1 Document (1.236 seconds)

BMRB: 4111

1F02

Sequential Assignment of the Triple Labelled 30 kDa Cell-adhesion Domain from Enteropathogenic E.coli

Authors

Kelly, G., Prasannan, S., Daniel, S., Frankel, G., Dougan, G., Connerton, I., Matthews, S.

Assembly

Intimin cell adhesion domain

Entity

1. Intimin cell adhesion domain (polymer), 280 monomers, 29897.09 Da Detail

ITEIKADKTT AVANGQDAIT YTVKVMKGDK PVSNQEVTFT TTLGKLSNST EKTDTNGYAK VTLTSTTPGK SLVSARVSDV AVDVKAPEVE FFTTLTIDDG NIEIVGTGVK GKLPTVWLQY GQVNLKASGG NGKYTWRSAN PAIASVDASS GQVTLKEKGT TTISVISSDN QTATYTIATP NSLIVPNMSK RVTYNDAVNT CKNFGGKLPS SQNELENVFK AWGAANKYEY YKSSQTIISW VQQTAQDAKS GVASTYDLVK QNPLNNIKAS ESNAYATCVK

Formula weight

29897.09 Da

Entity Connection

disulfide 1 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS201:SG	1:CYS278:SG

Source organism

Escherichia coli

Exptl. method

NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 90.0 %, Completeness: 40.1 %, Completeness (bb): 64.8 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	40.1 % (1251 of 3117)	27.1 % (432 of 1596)	46.6 % (565 of 1213)	82.5 % (254 of 308)
Backbone	64.8 % (1077 of 1662)	53.3 % (304 of 570)	63.6 % (522 of 821)	92.6 % (251 of 271)
Sidechain	12.3 % (211 of 1716)	12.5 % (128 of 1026)	12.3 % (80 of 653)	8.1 % (3 of 37)
Aromatic	3.2 % (6 of 186)	3.2 % (3 of 93)	3.4 % (3 of 89)	0.0 % (0 of 4)
Methyl	19.6 % (67 of 342)	20.5 % (35 of 171)	18.7 % (32 of 171)

1. Intimin cell adhesion domain

Show sample condition

Sample

Temperature 310 K, pH 5.0

#	Name	Isotope labeling	Concentration
1	Intimin cell adhesion domain	[U-100% 15N; U-100% 13C, U-80% 2H]	1.0 mM
2	H2O		90 %
3	D2O		10 %

Release date

1999-01-20

Citation

Sequential assignment of the triple labelled 30.1 kDa cell-adhesion domain of intimin from enteropathogenic E. coli
Kelly, G., Prasannan, S., Daniel, S., Frankel, G., Dougan, G., Connerton, I., Matthews, S.
J. Biomol. NMR (1998), 12, 189-191, PubMed 9729797 , DOI: , Abstract

Related entities 1. Intimin cell adhesion domain, : 1 : 2 : 4 entities Detail

Interaction partners 1. Intimin cell adhesion domain, : 1 interactors Detail

More details for 1 interactors identified by 1 citations

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr4111_3.str
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	True (see coordinates for details)
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Warning

Disulfide bonds

Ptnr_site_1	Ptnr_site_2	Redox_state_prediction_1	Redox_state_prediction_2	Distance (Å)
1:201:CYS:SG	1:278:CYS:SG	unknown, CA 55.2 ppm	unknown, CA 50.9 ppm	n/a

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

None

Non-standard residues

None

Content subtype: bmr4111_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_one	Warning	972		88.2 (chain: 1, length: 280)
1	Chemical shift references	chem_shift_reference_one	OK	3		No information

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_one
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 280, Sequence coverage: 88.2%
- Total number of assignments
  - ¹H chemical shifts: 247
  - ¹⁵N chemical shifts: 247
  - ¹³C chemical shifts: 478
- Completeness of assignments
  - Entity_assemble_ID: 1
- Redox state of CYS
- 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 (%)
¹H chemical shifts	1596	247	15.5
¹⁵N chemical shifts	311	247	79.4
¹³C chemical shifts	1213	478	39.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	570	247	43.3
¹⁵N chemical shifts	271	247	91.1
¹³C chemical shifts	560	478	85.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	1026	0	0.0
¹⁵N chemical shifts	40	0	0.0
¹³C chemical shifts	653	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	173	0	0.0
¹³C chemical shifts	173	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	93	0	0.0
¹⁵N chemical shifts	4	0	0.0
¹³C chemical shifts	89	0	0.0

Keywords deuteration, intimin, NMR, nuclear magnetic resonance, protein, resonance assignments

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