BMRBj - BMREntryMaster

Found 1 Document (0.541 seconds)

BMRB: 16124

6D13

Solution structure of RppH from Escherichia coli

Authors

Bi, Y., Li, H., Jin, C.

Assembly

RppH

Entity

1. RppH (polymer, Thiol state: all free), 164 monomers, 19409.05 Da Detail

MIDDDGYRPN VGIVICNRQG QVMWARRFGQ HSWQFPQGGI NPGESAEQAM YRELFEEVGL SRKDVRILAS TRNWLRYKLP KRLVRWDTKP VCIGQKQKWF LLQLVSGDAE INMQTSSTPE FDGWRWVSYW YPVRQVVSFK RDVYRRVMKE FASVVMSLQE NTPK

Formula weight

19409.05 Da

Source organism

Escherichia coli

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 89.6 %, Completeness (bb): 98.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	89.6 % (1817 of 2029)	87.4 % (934 of 1069)	90.4 % (703 of 778)	98.9 % (180 of 182)
Backbone	98.1 % (950 of 968)	97.6 % (323 of 331)	97.9 % (471 of 481)	100.0 % (156 of 156)
Sidechain	83.9 % (1019 of 1214)	82.8 % (611 of 738)	85.3 % (384 of 450)	92.3 % (24 of 26)
Aromatic	47.7 % (104 of 218)	50.5 % (55 of 109)	40.6 % (41 of 101)	100.0 % (8 of 8)
Methyl	98.7 % (152 of 154)	97.4 % (75 of 77)	100.0 % (77 of 77)

1. RppH

MIDDDGYRPN VGIVICNRQG QVMWARRFGQ HSWQFPQGGI NPGESAEQAM YRELFEEVGL SRKDVRILAS TRNWLRYKLP KRLVRWDTKP VCIGQKQKWF LLQLVSGDAE INMQTSSTPE FDGWRWVSYW YPVRQVVSFK RDVYRRVMKE FASVVMSLQE NTPK

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 5

#	Name	Isotope labeling	Concentration
1	sodium acetate	natural abundance	50 mM
2	sodium chloride	natural abundance	20 mM
3	DTT	natural abundance	40 mM
4	arginine	natural abundance	10 mM
5	glutamic	natural abundance	10 mM
6	RppH protein	[U-13C; U-15N]	0.8 mM

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: 0.03 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: 0.03 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: -0.05 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: 0.05 ppm, Outliers: 1 Detail

Release date

2009-04-13

Citation

1H, 13C and 15N resonance assignments of RNA pyrophosphohydrolase RppH from Escherichia coli
Bi, Y., Li, H., Fan, S., Xia, B., Jin, C.
Biomol. NMR Assign. (2009), 3, 149-151, PubMed 19636968 , DOI 10.1007/s12104-009-9162-8 , Abstract

Related entities 1. RppH, : 1 : 4 : 16 : 118 entities Detail

Interaction partners 1. RppH, : 8 interactors Detail

More details for 8 interactors identified by 4 citations

Experiments performed 3 experiments Detail

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr16124_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: bmr16124_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	2011		100.0 (chain: 1, length: 164)
1	Chemical shift references	chemical_shift_reference_1	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: 164, Sequence coverage: 100.0%

--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100
MIDDDGYRPNVGIVICNRQGQVMWARRFGQHSWQFPQGGINPGESAEQAMYRELFEEVGLSRKDVRILASTRNWLRYKLPKRLVRWDTKPVCIGQKQKWF
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
MIDDDGYRPNVGIVICNRQGQVMWARRFGQHSWQFPQGGINPGESAEQAMYRELFEEVGLSRKDVRILASTRNWLRYKLPKRLVRWDTKPVCIGQKQKWF

-------110-------120-------130-------140-------150-------160----
LLQLVSGDAEINMQTSSTPEFDGWRWVSYWYPVRQVVSFKRDVYRRVMKEFASVVMSLQENTPK
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
LLQLVSGDAEINMQTSSTPEFDGWRWVSYWYPVRQVVSFKRDVYRRVMKEFASVVMSLQENTPK

Total number of assignments
- ¹H chemical shifts: 1107
- ¹³C chemical shifts: 717
- ¹⁵N chemical shifts: 187

Completeness of assignments

Entity_assemble_ID: 1

Excluded Atom_ID in statistics

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
10	ASN	CG	175.342
17	ASN	CG	179.651
19	GLN	CD	180.589
21	GLN	CD	179.706
37	GLN	CD	178.009
41	ASN	CG	176.133
48	GLN	CD	180.237
66	ARG	HH21	6.662
73	ASN	CG	177.234
85	ARG	HH21	6.737
95	GLN	CD	178.713
97	GLN	CD	177.951
103	GLN	CD	181.058
112	ASN	CG	177.57
114	GLN	CD	181.022
135	GLN	CD	179.592
159	GLN	CD	179.885
161	ASN	CG	177.146

All atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	1069	939	87.8
¹³C chemical shifts	778	701	90.1
¹⁵N chemical shifts	198	187	94.4

Backbone atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	331	330	99.7
¹³C chemical shifts	328	319	97.3
¹⁵N chemical shifts	156	155	99.4

Side chain atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	738	609	82.5
¹³C chemical shifts	450	382	84.9
¹⁵N chemical shifts	42	32	76.2

Methyl group atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	83	83	100.0
¹³C chemical shifts	83	83	100.0

Aromatic group atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	109	58	53.2
¹³C chemical shifts	101	40	39.6
¹⁵N chemical shifts	8	8	100.0

Redox state of CYS
Peptide bond of PRO
Tautomeric state of HIS
Rotameric state of ILE , LEU, and VAL
Histogram of normalized assigned chemical shifts
Random coil index and derived parameters (S² and NMR RMSD)
- Chain_ID: 1

Search

Query history

Resources

Search for primary databases

Search for subsidiary databases

Display

Hits per page

Statistics

Query Changes will take effect after "OK" button is selected.

Maximum hits

Default conjunction operator

Omni-box

Search filter

Sequence search (BLAST)

E-value

Query sequence coverage

Miscellaneous

The number of previewed publications

Completeness of assigned chemical shift

Sequence chart about top aligned regions

Sequence chart about interacting regions

Hit context with highlight

Link destinations for BMRB, PDB and EMDB

Found 1 Document (0.541 seconds)

BMRB: 16124

Sample

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. RppH, : 1 : 4 : 16 : 118 entities Detail

Interaction partners 1. RppH, : 8 interactors Detail

Experiments performed 3 experiments Detail

Instrument

Sample

Instrument

Sample

Instrument

Sample

Chemical shift validation 3 contents Detail