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BMRB: 15777

2K3T

Solution Structure of IG-Like Domain 23 from Human Filamin A

Authors

Heikkinen, O.K., Kupiainen, O., Ylanne, J., Kilpelainen, I.

Assembly

FLNA23

Entity

1. FLNA23 (polymer, Thiol state: all free), 99 monomers, 9981.227 Da Detail

GAMGDPGLVS AYGAGLEGGV TGNPAEFVVN TSNAGAGALS VTIDGPSKVK MDCQECPEGY RVTYTPMAPG SYLISIKYGG PYHIGGSPFK AKVTGPRLV

Formula weight

9981.227 Da

Source organism

Exptl. method

Refine. method

molecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 93.4 %, Completeness (bb): 95.8 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	93.4 % (974 of 1043)	94.6 % (506 of 535)	90.6 % (375 of 414)	98.9 % (93 of 94)
Backbone	95.8 % (552 of 576)	97.1 % (201 of 207)	93.9 % (262 of 279)	98.9 % (89 of 90)
Sidechain	91.8 % (503 of 548)	93.3 % (306 of 328)	89.4 % (193 of 216)	100.0 % (4 of 4)
Aromatic	73.6 % (53 of 72)	94.4 % (34 of 36)	52.8 % (19 of 36)
Methyl	98.0 % (100 of 102)	98.0 % (50 of 51)	98.0 % (50 of 51)

1. FLNA23

GAMGDPGLVS AYGAGLEGGV TGNPAEFVVN TSNAGAGALS VTIDGPSKVK MDCQECPEGY RVTYTPMAPG SYLISIKYGG PYHIGGSPFK AKVTGPRLV

Show sample condition

Sample

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8

#	Name	Isotope labeling	Type	Concentration
1	FLNA23	[U-13C; U-15N]		1 (±0.2) mM
2	Sodium phosphate	natural abundance		20 mM
3	Sodium chloride	natural abundance		150 mM
4	DTT	natural abundance		1 mM
5	Sodium azide	natural abundance		2 mM

LACS Plot; CA

Referencing offset: 0.14 ppm, Outliers: 1 Detail

LACS Plot; CB

Referencing offset: 0.14 ppm, Outliers: 1 Detail

LACS Plot; HA

Referencing offset: -0.16 ppm, Outliers: 4 Detail

LACS Plot; CO

Referencing offset: 0.61 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2K3T, Strand ID: A Detail

Release date

2009-05-21

Citation

Molecular basis of filamin A-FilGAP interaction and its impairment in congenital disorders associated with filamin A mutations
Nakamura, F., Heikkinen, O., Pentikainen, O., Osborn, T.M., Kasza, K.E., Weitz, D.A., Kupiainen, O., Permi, P., Kilpelainen, I., Ylanne, J., Hartwig, J.H., Stossel, T.P.
PLoS One (2009), 4, e4928-e4928, PubMed 19293932 , DOI 10.1371/journal.pone.0004928 , Abstract

Related entities 1. FLNA23, : 1 : 2 : 392 entities Detail

Interaction partners 1. FLNA23, : 147 interactors Detail

More details for 147 interactors identified by 59 citations

Experiments performed 13 experiments Detail

1 2D 1H-15N HSQC

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8

#	Name	Isotope labeling	Type	Concentration
1	FLNA23	[U-13C; U-15N]		1 (±0.2) mM
2	Sodium phosphate	natural abundance		20 mM
3	Sodium chloride	natural abundance		150 mM
4	DTT	natural abundance		1 mM
5	Sodium azide	natural abundance		2 mM

2 2D 1H-13C HSQC

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8

#	Name	Isotope labeling	Type	Concentration
1	FLNA23	[U-13C; U-15N]		1 (±0.2) mM
2	Sodium phosphate	natural abundance		20 mM
3	Sodium chloride	natural abundance		150 mM
4	DTT	natural abundance		1 mM
5	Sodium azide	natural abundance		2 mM

3 3D HNCA

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8

#	Name	Isotope labeling	Type	Concentration
1	FLNA23	[U-13C; U-15N]		1 (±0.2) mM
2	Sodium phosphate	natural abundance		20 mM
3	Sodium chloride	natural abundance		150 mM
4	DTT	natural abundance		1 mM
5	Sodium azide	natural abundance		2 mM

4 3D CBCA(CO)NH

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8

#	Name	Isotope labeling	Type	Concentration
1	FLNA23	[U-13C; U-15N]		1 (±0.2) mM
2	Sodium phosphate	natural abundance		20 mM
3	Sodium chloride	natural abundance		150 mM
4	DTT	natural abundance		1 mM
5	Sodium azide	natural abundance		2 mM

5 3D HNCO

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8

#	Name	Isotope labeling	Type	Concentration
1	FLNA23	[U-13C; U-15N]		1 (±0.2) mM
2	Sodium phosphate	natural abundance		20 mM
3	Sodium chloride	natural abundance		150 mM
4	DTT	natural abundance		1 mM
5	Sodium azide	natural abundance		2 mM

6 3D HNCACB

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8

#	Name	Isotope labeling	Type	Concentration
1	FLNA23	[U-13C; U-15N]		1 (±0.2) mM
2	Sodium phosphate	natural abundance		20 mM
3	Sodium chloride	natural abundance		150 mM
4	DTT	natural abundance		1 mM
5	Sodium azide	natural abundance		2 mM

7 3D HN(CO)CA

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8

#	Name	Isotope labeling	Type	Concentration
1	FLNA23	[U-13C; U-15N]		1 (±0.2) mM
2	Sodium phosphate	natural abundance		20 mM
3	Sodium chloride	natural abundance		150 mM
4	DTT	natural abundance		1 mM
5	Sodium azide	natural abundance		2 mM

8 3D C(CO)NH

Instrument

Varian INOVA - 500 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8

#	Name	Isotope labeling	Type	Concentration
1	FLNA23	[U-13C; U-15N]		1 (±0.2) mM
2	Sodium phosphate	natural abundance		20 mM
3	Sodium chloride	natural abundance		150 mM
4	DTT	natural abundance		1 mM
5	Sodium azide	natural abundance		2 mM

9 3D HCCH-COSY

Instrument

Varian INOVA - 500 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8

#	Name	Isotope labeling	Type	Concentration
1	FLNA23	[U-13C; U-15N]		1 (±0.2) mM
2	Sodium phosphate	natural abundance		20 mM
3	Sodium chloride	natural abundance		150 mM
4	DTT	natural abundance		1 mM
5	Sodium azide	natural abundance		2 mM

10 iHNCA

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8

#	Name	Isotope labeling	Type	Concentration
1	FLNA23	[U-13C; U-15N]		1 (±0.2) mM
2	Sodium phosphate	natural abundance		20 mM
3	Sodium chloride	natural abundance		150 mM
4	DTT	natural abundance		1 mM
5	Sodium azide	natural abundance		2 mM

11 iHNCACB

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8

#	Name	Isotope labeling	Type	Concentration
1	FLNA23	[U-13C; U-15N]		1 (±0.2) mM
2	Sodium phosphate	natural abundance		20 mM
3	Sodium chloride	natural abundance		150 mM
4	DTT	natural abundance		1 mM
5	Sodium azide	natural abundance		2 mM

12 3D 1H-15N NOESY

Instrument

Varian INOVA - 800 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8

#	Name	Isotope labeling	Type	Concentration
1	FLNA23	[U-13C; U-15N]		1 (±0.2) mM
2	Sodium phosphate	natural abundance		20 mM
3	Sodium chloride	natural abundance		150 mM
4	DTT	natural abundance		1 mM
5	Sodium azide	natural abundance		2 mM

13 3D 1H-13C NOESY

Instrument

Varian INOVA - 800 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8

#	Name	Isotope labeling	Type	Concentration
1	FLNA23	[U-13C; U-15N]		1 (±0.2) mM
2	Sodium phosphate	natural abundance		20 mM
3	Sodium chloride	natural abundance		150 mM
4	DTT	natural abundance		1 mM
5	Sodium azide	natural abundance		2 mM

NMR combined restraints 3 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints	combined_15777_2k3t.nef
Input source #2: Coordindates	2k3t.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

---2430------2440------2450------2460------2470------2480------2490------2500------2510------2520--
GAMGDPGLVSAYGAGLEGGVTGNPAEFVVNTSNAGAGALSVTIDGPSKVKMDCQECPEGYRVTYTPMAPGSYLISIKYGGPYHIGGSPFKAKVTGPRLV
|||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
GAMGDPGLVSAYGAGLEGGVTGNPAEFVVNTSNAGAGALSVTIDGPSKVKMDCQECPEGYRVTYTPMAPGSYLISIKYGGPYHIGGSPFKAKVTGPRLV
--------10--------20--------30--------40--------50--------60--------70--------80--------90---------

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	99	0	0	100.0

Content subtype: combined_15777_2k3t.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	985		100.0 (chain: A, length: 99)
1	Distance restraints	DYANA/DIANA_distance_constraints_2	OK	2196 (1)	noe	97.0 (chain: A, length: 99)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 99, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 519
  - ¹³C chemical shifts: 374
  - ¹⁵N chemical shifts: 92
- Completeness of assignments
  - Entity_assemble_ID: A
- 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: A

Distance restraints

Saveframe: DYANA/DIANA_distance_constraints_2
- Status: OK
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 99, Sequence coverage: 97.0%
- Total number of restraints: 2176
- Weight of restraints: 1.0 (2176)
- Potential type of restraints: upper-bound-parabolic (2176)
- Range of distance target values: 2.63, 5.5 (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

Keywords Filamin A, IG-like, immunoglobulin