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Found 1 Document (0.916 seconds)

BMRB: 15354

2JS5

NMR Structure of protein Q60C73_METCA:Northeast Structural Genomics Consortium target McR1

Authors

SINGARAPU, K., WU, Y., ELETSKY, A., SUKUMARAN, D., PARISH, D., CHEN, C.X., NWOSU, C., MAGLAQUI, M., XIAO, R., LIU, J., BARAN, M.C., G.V.T, S., ACTON, T.B., ROST, B., GAETANO, M.T., SZYPERSKI, T.

Assembly

NMR Structure of protein Q60C73 METCA

Entity

1. NMR Structure of protein Q60C73 METCA (polymer, Thiol state: not present), 142 monomers, 16484.34 × 2 Da Detail

MSEGAEELKA KLKKLNAQAT ALKMDLHDLA EDLPTGWNRI MEVAEKTYEA YRQLDEFRKS TASLEHHHHH HMSEGAEELK AKLKKLNAQA TALKMDLHDL AEDLPTGWNR IMEVAEKTYE AYRQLDEFRK STASLEHHHH HH

Total weight

32968.68 Da

Max. entity weight

16484.34 Da

Source organism

Rhodopseudomonas palustris

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 57.0 %, Completeness: 54.9 %, Completeness (bb): 55.9 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	54.9 % (918 of 1672)	55.5 % (484 of 872)	54.0 % (351 of 650)	55.3 % (83 of 150)
Backbone	55.9 % (474 of 848)	56.6 % (162 of 286)	55.2 % (233 of 422)	56.4 % (79 of 140)
Sidechain	54.2 % (521 of 962)	54.9 % (322 of 586)	53.3 % (195 of 366)	40.0 % (4 of 10)
Aromatic	38.6 % (51 of 132)	43.9 % (29 of 66)	34.4 % (22 of 64)	0.0 % (0 of 2)
Methyl	59.3 % (83 of 140)	60.0 % (42 of 70)	58.6 % (41 of 70)

1. protein Q60C73 METCA

MSEGAEELKA KLKKLNAQAT ALKMDLHDLA EDLPTGWNRI MEVAEKTYEA YRQLDEFRKS TASLEHHHHH HMSEGAEELK AKLKKLNAQA TALKMDLHDL AEDLPTGWNR IMEVAEKTYE AYRQLDEFRK STASLEHHHH HH

Show sample condition

Sample #1

Pressure 1 atm, Temperature 298 K, pH 4.5

#	Name	Isotope labeling	Type	Concentration
1	entity	[U-100% 13C; U-100% 15N]		1.0 mM

Sample #2

Pressure 1 atm, Temperature 298 K, pH 4.5

#	Name	Isotope labeling	Type	Concentration
2	entity	[U-50% 13C; U-50% 15N]		1.0 mM

Protein Blocks Logo

Calculated from 20 models in PDB: 2JS5, Strand ID: A, B Detail

Release date

2007-08-28

Citation

NMR Structure of protein Q60C73_METCA
SINGARAPU, K., WU, Y., ELETSKY, A., SUKUMARAN, D., PARISH, D., CHEN, C., NWOSU, C., MAGLAQUI, M., XIAO, R., LIU, J., BARAN, M., G.V.T, S., ACTON, T., ROST, B., GAETANO, M., SZYPERSKI, T.

Related entities 1. NMR Structure of protein Q60C73 METCA, : 6 entities Detail

Experiments performed 8 experiments Detail

NMR combined restraints 4 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_15354_2js5.nef
Input source #2: Coordindates	2js5.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-
MSEGAEELKAKLKKLNAQATALKMDLHDLAEDLPTGWNRIMEVAEKTYEAYRQLDEFRKSTASLEHHHHHH
|||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
MSEGAEELKAKLKKLNAQATALKMDLHDLAEDLPTGWNRIMEVAEKTYEAYRQLDEFRKSTASLEHHHHHH

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

--------10--------20--------30--------40--------50--------60--------70-
MSEGAEELKAKLKKLNAQATALKMDLHDLAEDLPTGWNRIMEVAEKTYEAYRQLDEFRKSTASLEHHHHHH
|||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
MSEGAEELKAKLKKLNAQATALKMDLHDLAEDLPTGWNRIMEVAEKTYEAYRQLDEFRKSTASLEHHHHHH

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	71	0	0	100.0
B	B	71	0	0	100.0

Content subtype: combined_15354_2js5.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	786		97.2 (chain: A, length: 71)
1	Distance restraints	DYANA/DIANA_distance_constraints_2	OK	2828 (1)	noe	93.0 (chain: A, length: 71), 93.0 (chain: B, length: 71)
1	Dihedral angle restraints	DYANA/DIANA_dihedral_3	Warning	531 (482)	.	95.8 (chain: A, length: 71), 95.8 (chain: B, length: 71)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 71, Sequence coverage: 97.2%
- Total number of assignments
  - ¹H chemical shifts: 414
  - ¹³C chemical shifts: 301
  - ¹⁵N chemical shifts: 71
- Completeness of assignments
  - Entity_assemble_ID: A
- 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: A

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	436	414	95.0
¹³C chemical shifts	325	301	92.6
¹⁵N chemical shifts	78	71	91.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	143	138	96.5
¹³C chemical shifts	142	134	94.4
¹⁵N chemical shifts	70	67	95.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	293	276	94.2
¹³C chemical shifts	183	167	91.3
¹⁵N chemical shifts	8	4	50.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	38	36	94.7
¹³C chemical shifts	38	36	94.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	33	29	87.9
¹³C chemical shifts	32	22	68.8
¹⁵N chemical shifts	1	0	0.0

Distance restraints

Saveframe: DYANA/DIANA_distance_constraints_2
- Status: OK
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 71, Sequence coverage: 93.0%
  - Entity_assembly_ID: B, Chain length: 71, Sequence coverage: 93.0%
- Total number of restraints: 2828
- Weight of restraints: 1.0 (2828)
- Potential type of restraints: upper-bound-parabolic (2828)
- Range of distance target values: 2.7, 10.22 (Å)
- Histogram of distance target values
- Histogram of discrepancy in distance target values
- Distance restraints per residue
  - Chain_ID: A
  - Chain_ID: B
- Distance restraints on contact map

Dihedral angle restraints

Saveframe: DYANA/DIANA_dihedral_3
- Status: Warning
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 71, Sequence coverage: 95.8%
  - Entity_assembly_ID: B, Chain length: 71, Sequence coverage: 95.8%
- Total number of restraints: 482
- Total number of restraints per polymer type: 482
- Weight of restraints: 1.0 (482)
- Potential type of restraints: square-well-parabolic (482)
- Plot of Phi-Psi angle restraints
- Plot of Chi1-Chi2 angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A
  - Chain_ID: B

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Found 1 Document (0.916 seconds)

BMRB: 15354

Sample #1

Sample #2

Related entities 1. NMR Structure of protein Q60C73 METCA, : 6 entities Detail

Experiments performed 8 experiments Detail

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NMR combined restraints 4 contents Detail