BMRBj - BMREntryMaster

Found 1 Document (0.674 seconds)

BMRB: 16864

5ZB6

Sequence Specific 1H, 13C and 15N backbone resonance assignments of uvi31+ from Chlamydomonas reinhardtii

Authors

Rout, A.K., Minda, R., Peri, D., Bhattacharya, S., Rao, B.J., Chary, K.V.

Assembly

uvi31+

Entity

1. uvi31+ (polymer, Thiol state: not present), 120 monomers, 13000.45 Da Detail

MRGSHHHHHH GSHVISSIAS MAEHQLGPIA GAIKSKVEAA LSPTHFKLIN DSHKHAGHYA RDGSTASDAG ETHFRLEVTS DAFKGLTLVK RHQLIYGLLS DEFKAGLHAL SMTTKTPAEQ

Formula weight

13000.45 Da

Source organism

Chlamydomonas reinhardtii

Exptl. method

solution NMR

Refine. method

simulated annealing, molecular dynamics, torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 94.2 %, Completeness: 72.5 %, Completeness (bb): 91.9 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	72.5 % (964 of 1330)	63.9 % (435 of 681)	78.8 % (416 of 528)	93.4 % (113 of 121)
Backbone	91.9 % (656 of 714)	89.5 % (221 of 247)	93.1 % (326 of 350)	93.2 % (109 of 117)
Sidechain	56.5 % (410 of 726)	49.3 % (214 of 434)	66.7 % (192 of 288)	100.0 % (4 of 4)
Aromatic	3.4 % (4 of 116)	3.4 % (2 of 58)	3.4 % (2 of 58)
Methyl	71.9 % (92 of 128)	65.6 % (42 of 64)	78.1 % (50 of 64)

1. uvi31+

MRGSHHHHHH GSHVISSIAS MAEHQLGPIA GAIKSKVEAA LSPTHFKLIN DSHKHAGHYA RDGSTASDAG ETHFRLEVTS DAFKGLTLVK RHQLIYGLLS DEFKAGLHAL SMTTKTPAEQ

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 15N-uvi31+

#	Name	Isotope labeling	Concentration
1	uvi31+	[U-100% 15N]	0.8 mM
2	H2O	natural abundance	90 %
3	D2O	natural abundance	10 %
4	sodium phosphate	natural abundance	50 mM
5	NaCl	natural abundance	50 mM

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 13C,15N-uvi31+

#	Name	Isotope labeling	Concentration
6	uvi31+	[U-100% 13C; U-100% 15N]	0.7 mM
7	H2O	natural abundance	90 %
8	D2O	natural abundance	10 %
9	sodium phosphate	natural abundance	50 mM
10	NaCl	natural abundance	50 mM

LACS Plot; CA

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

Referencing offset: 0.46 ppm, Outliers: 2 Detail

LACS Plot; CB

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

Referencing offset: 0.46 ppm, Outliers: 2 Detail

LACS Plot; HA

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

Referencing offset: 0.09 ppm, Outliers: 3 Detail

LACS Plot; CO

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

Referencing offset: 1.56 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 10 models in PDB: 2MA0, Strand ID: A Detail

Release date

2010-06-14

Citation

Sequence specific 1H, 13C and 15N backbone resonance assignments of UVI31+ from Chlamydomonas reinhardtii
Rout, A.K., Minda, R., Peri, D., Ramakrishnan, V., Bhattacharjee, S.K., Rao, B.J., Chary, K.V.R.
Biomol. NMR Assign. (2010), 4, 171-174, PubMed 20526700 , DOI 10.1007/s12104-010-9239-4 , Abstract

Related entities 1. uvi31+, : 1 : 7 entities Detail

Experiments performed 5 experiments Detail

NMR combined restraints 5 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_16864_5zb6.nef
Input source #2: Coordindates	5zb6.cif
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

Sequence alignments

Entity_assembly_ID (NMR): A vs Auth_asym_ID (model): A

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

-------110-------120---
LLSDEFKAGLHALSMTTKTPAEQ
|||||||||||||||||||||||
LLSDEFKAGLHALSMTTKTPAEQ

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	123	0	0	100.0

Content subtype: combined_16864_5zb6.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	930		89.4 (chain: A, length: 123)
1	Distance restraints	DYANA/DIANA_distance_constraints_4	Warning	1209 (1)	noe	78.9 (chain: A, length: 123)
2	Distance restraints	DYANA/DIANA_distance_constraints_5	Warning	42 (1)	hbond	24.4 (chain: A, length: 123)
1	Dihedral angle restraints	DYANA/DIANA_dihedral_3	OK	102 (102)	.	56.9 (chain: A, length: 123)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 123, Sequence coverage: 89.4%
- Total number of assignments
  - ¹H chemical shifts: 418
  - ¹³C chemical shifts: 401
  - ¹⁵N chemical shifts: 111
- Completeness of assignments
  - Entity_assemble_ID: A
- Peptide bond of PRO
- 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: A

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
38	SER	HG	5.12
45	SER	HG	5.34
47	THR	HG1	5.197
67	SER	HG	5.074
68	THR	HG1	5.066
75	THR	HG1	5.508
114	SER	HG	5.26
116	THR	HG1	5.197
117	THR	HG1	5.34
119	THR	HG1	5.077

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	697	408	58.5
¹³C chemical shifts	538	401	74.5
¹⁵N chemical shifts	129	111	86.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	254	215	84.6
¹³C chemical shifts	246	220	89.4
¹⁵N chemical shifts	120	107	89.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	443	193	43.6
¹³C chemical shifts	292	181	62.0
¹⁵N chemical shifts	9	4	44.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	67	38	56.7
¹³C chemical shifts	67	46	68.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	58	0	0.0
¹³C chemical shifts	58	0	0.0

Distance restraints

Saveframe: DYANA/DIANA_distance_constraints_4
- Status: Warning
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 123, Sequence coverage: 78.9%
- Total number of restraints: 1209
- Weight of restraints: 1.0 (1209)
- Potential type of restraints: upper-bound-parabolic (1209)
- Range of distance target values: 2.8, 6.5 (Å)
- Histogram of distance target values
- Histogram of discrepancy in distance target values
- Distance restraints per residue
  - Chain_ID: A
- Distance restraints on contact map
- Saveframe: DYANA/DIANA_distance_constraints_5
  - Status: Warning
  - Experiment type: hbond
  - Sequence coverage of experimental data
    - Entity_assembly_ID: A, Chain length: 123, Sequence coverage: 24.4%
  - Total number of restraints: 42
  - Weight of restraints: 1.0 (42)
  - Potential type of restraints: upper-bound-parabolic (42)
  - Range of distance target values: 2.0, 5.2 (Å)
  - Histogram of distance target values
  - Distance restraints per residue
    - Chain_ID: A
  - Distance restraints on contact map

Dihedral angle restraints

Saveframe: DYANA/DIANA_dihedral_3
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 123, Sequence coverage: 56.9%
- Total number of restraints: 102
- Total number of restraints per polymer type: 102
- Weight of restraints: 1.0 (102)
- Potential type of restraints: square-well-parabolic (102)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

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 (0.674 seconds)

BMRB: 16864

Sample #1

Sample #2

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. uvi31+, : 1 : 7 entities Detail

Experiments performed 5 experiments Detail

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

NMR combined restraints 5 contents Detail