BMRBj - BMREntryMaster

Found 1 Document (1.643 seconds)

BMRB: 5683

1NWB

QR6 structure

Authors

Xu, D., Liu, G., Xiao, R., Acton, T., Montelione, G., Szyperski, T.

Assembly

QR6

Entity

1. QR6 (polymer, Thiol state: all free), 116 monomers, 12660.06 Da Detail

MQEQAQQFIF KVTDKAVEEI KKVAQENNIE NPILRIRVVP GGCSGFQYAM GFDDTVEEGD HVFEYDGVKV VIDPFSMPYV NGAELDYVVD FMGGGFTIRN PNATGSCGCG SSFSCG

Formula weight

12660.06 Da

Source organism

Aquifex aeolicus

Exptl. method

NMR

Refine. method

distance geometry

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 87.4 %, Completeness (bb): 94.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	87.4 % (1140 of 1304)	86.5 % (582 of 673)	89.4 % (454 of 508)	84.6 % (104 of 123)
Backbone	94.3 % (647 of 686)	95.9 % (231 of 241)	94.0 % (314 of 334)	91.9 % (102 of 111)
Sidechain	82.4 % (593 of 720)	81.3 % (351 of 432)	87.0 % (240 of 276)	16.7 % (2 of 12)
Aromatic	57.1 % (72 of 126)	63.5 % (40 of 63)	50.8 % (32 of 63)
Methyl	100.0 % (108 of 108)	100.0 % (54 of 54)	100.0 % (54 of 54)

1. Hypothetical protein AQ 1857

MQEQAQQFIF KVTDKAVEEI KKVAQENNIE NPILRIRVVP GGCSGFQYAM GFDDTVEEGD HVFEYDGVKV VIDPFSMPYV NGAELDYVVD FMGGGFTIRN PNATGSCGCG SSFSCG

Show sample condition

Sample

Temperature 293 (±0.2) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	Hypothetical protein AQ_1857	[U-100% 13C; U-100% 15N]		1.08 mM

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291
¹³C	DSS	methyl protons	null	indirect	0.2514495
²H	DSS	methyl protons	null	indirect	0.1535061

Referencing offset: 0.14 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291
¹³C	DSS	methyl protons	null	indirect	0.2514495
²H	DSS	methyl protons	null	indirect	0.1535061

Referencing offset: 0.14 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291
¹³C	DSS	methyl protons	null	indirect	0.2514495
²H	DSS	methyl protons	null	indirect	0.1535061

Referencing offset: -0.03 ppm, Outliers: 4 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291
¹³C	DSS	methyl protons	null	indirect	0.2514495
²H	DSS	methyl protons	null	indirect	0.1535061

Referencing offset: 2.26 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 1NWB, Strand ID: A Detail

Release date

2004-09-13

Citation

NMR structure of the hypothetical protein AQ-1857 encoded by the Y157 gene from Aquifex aeolicus reveals a novel protein fold
Xu, D., Liu, G., Xiao, R., Acton, T., Goldsmith-Fischman, S., Honig, B., Montelione, G., Szyperski, T.
Proteins (2004), 54, 794-796, PubMed 14997575 , DOI 10.1002/prot.10424 , Abstract

Entries sharing articles BMRB: 1, Swiss-Prot: 1 entries Detail

  BMRB: 5790 released on 2004-03-14
    Title Solution structure of the Hypothetical protein AQ_1857 from Aquifex aeolicus: Northeast Structural Genomics Consortium Target QR6
  Swiss-Prot: O67709 released on 2000-05-30
    Title Y1857_AQUAE Entity Protein aq_1857

Related entities 1. QR6, : 1 : 1 : 147 entities Detail

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr5683_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: bmr5683_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	shift_set_1	Warning	1240		100.0 (chain: 1, length: 116)
1	Chemical shift references	chemical_shift_reference	OK	4		No information

Assigned chemical shifts

Saveframe: shift_set_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 116, Sequence coverage: 100.0%
- Total number of assignments
  - ¹³C chemical shifts: 449
  - ¹H chemical shifts: 686
  - ¹⁵N chemical shifts: 105
- Completeness of assignments
  - Entity_assemble_ID: 1
- 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

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	232	213	91.8
¹H chemical shifts	241	232	96.3
¹⁵N chemical shifts	111	103	92.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	276	236	85.5
¹H chemical shifts	432	343	79.4
¹⁵N chemical shifts	15	2	13.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	58	55	94.8
¹H chemical shifts	58	55	94.8

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 (1.643 seconds)

BMRB: 5683

Sample

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Entries sharing articles BMRB: 1, Swiss-Prot: 1 entries Detail

Related entities 1. QR6, : 1 : 1 : 147 entities Detail

Chemical shift validation 3 contents Detail

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	508	449	88.4
¹H chemical shifts	673	575	85.4
¹⁵N chemical shifts	126	105	83.3