BMRBj - BMREntryMaster

	Total	¹H	¹³C	¹⁵N
All	78.4 % (243 of 310)	85.4 % (140 of 164)	67.2 % (80 of 119)	85.2 % (23 of 27)
Backbone	78.9 % (112 of 142)	91.7 % (44 of 48)	69.0 % (49 of 71)	82.6 % (19 of 23)
Sidechain	80.6 % (154 of 191)	82.8 % (96 of 116)	76.1 % (54 of 71)	100.0 % (4 of 4)
Aromatic	6.3 % (2 of 32)	6.3 % (1 of 16)	0.0 % (0 of 15)	100.0 % (1 of 1)
Methyl	100.0 % (24 of 24)	100.0 % (12 of 12)	100.0 % (12 of 12)

1. VILLIN-1

XMTRSAFANL PLWKQQALMK EKGLFX

Show sample condition

Sample

Solvent system 10% D2O/90% water, Pressure 1 atm, Temperature 288.000 K, pH 7.500, Details 3mM

#	Name	Isotope labeling	Type	Concentration
1	VILLIN-1	[U-13C; U-15N]		3 mM

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Calculated from 20 models in PDB: 4CZ4, Strand ID: A Detail

Release date

2015-02-15

Related entities 1. HP24stab derived from the villin headpiece subdomain, : 1 : 27 : 68 entities Detail

Interaction partners 1. HP24stab derived from the villin headpiece subdomain, : 1 interactors Detail

More details for 1 interactors identified by 1 citations

Experiments performed 2 experiments Detail

NMR combined restraints 3 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints	combined_19929_4cz4.nef
Input source #2: Coordindates	4cz4.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	True (see coodinates for details)
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)

Ptnr_site_1	Ptnr_site_2	Redox_state_prediction_1	Redox_state_prediction_2	Distance (Å)
1:1:ACE:C	1:2:MET:N	unknown	unknown	n/a
1:25:PHE:C	1:26:NH2:N	unknown	unknown	n/a

Non-standard residues

Chain_ID	Seq_ID	Comp_ID	Chem_comp_name	Experimental evidences
A	52	ACE	ACETYL GROUP	Assigned chemical shifts, Coordinates
A	77	NH2	AMINO GROUP	Assigned chemical shifts, Coordinates

Sequence alignments

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

-------60--------70-------
XMTRSAFANLPLWKQQALMKEKGLFX
||||||||||||||||||||||||||
XMTRSAFANLPLWKQQALMKEKGLFX
--------10--------20------

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	26	0	0	100.0

Content subtype: combined_19929_4cz4.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Covalent bonds	assembly	OK	2		No information
1	Assigned chemical shifts	assigned_chem_shift_list	Warning	246		100.0 (chain: A, length: 26)
1	Distance restraints	CNS/XPLOR_distance_constraints_2	OK	633 (1)	noe	92.3 (chain: A, length: 26)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 26, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 143
  - ¹³C chemical shifts: 79
  - ¹⁵N chemical shifts: 24
- 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

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	168	144	85.7
¹³C chemical shifts	121	78	64.5
¹⁵N chemical shifts	29	24	82.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	49	45	91.8
¹³C chemical shifts	48	24	50.0
¹⁵N chemical shifts	24	20	83.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	119	99	83.2
¹³C chemical shifts	73	54	74.0
¹⁵N chemical shifts	5	4	80.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	15	15	100.0
¹³C chemical shifts	15	14	93.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	16	1	6.2
¹³C chemical shifts	15	0	0.0
¹⁵N chemical shifts	1	1	100.0

Covalent bonds

Saveframe: assembly
- Status: OK

Distance restraints

Saveframe: CNS/XPLOR_distance_constraints_2
- Status: OK
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 26, Sequence coverage: 92.3%
- Total number of restraints: 632
- Weight of restraints: 1.0 (632)
- Potential type of restraints: square-well-parabolic (632)
- Range of distance target values: 1.3, 2.75 (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

Keywords ACTIN-BINDING PROTEIN, CH HYPERSTABLE, chicken, hyperstable, subdomain, supersecondary, villin

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BMRB: 19929

Sample

Related entities 1. HP24stab derived from the villin headpiece subdomain, : 1 : 27 : 68 entities Detail

Interaction partners 1. HP24stab derived from the villin headpiece subdomain, : 1 interactors Detail

Experiments performed 2 experiments Detail

Instrument

Sample

Instrument

Sample

NMR combined restraints 3 contents Detail