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BMRB: 25634

2N35

Fusion to a Highly Stable Consensus Albumin Binding Domain Allows for Tunable Pharmacokinetics

Authors

Gibbs, A.C., Jacobs, S.A.

Assembly

ABD monomer

Entity

1. ABD monomer (polymer, Thiol state: not present), 52 monomers, 5854.651 Da Detail

GTIDEWLLKE AKEKAIEELK KAGITSDYYF DLINKAKTVE GVNALKDEIL KA

Formula weight

5854.651 Da

Exptl. method

Refine. method

distance geometry

Data set

assigned_chemical_shifts, heteronucl_NOEs

Chem. Shift Complete

Sequence coverage: 98.1 %, Completeness: 88.6 %, Completeness (bb): 92.0 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	88.6 % (554 of 625)	88.9 % (289 of 325)	86.5 % (212 of 245)	96.4 % (53 of 55)
Backbone	92.0 % (287 of 312)	92.5 % (99 of 107)	90.2 % (138 of 153)	96.2 % (50 of 52)
Sidechain	87.0 % (315 of 362)	87.2 % (190 of 218)	86.5 % (122 of 141)	100.0 % (3 of 3)
Aromatic	13.2 % (5 of 38)	10.5 % (2 of 19)	11.1 % (2 of 18)	100.0 % (1 of 1)
Methyl	100.0 % (70 of 70)	100.0 % (35 of 35)	100.0 % (35 of 35)

1. ABD

GTIDEWLLKE AKEKAIEELK KAGITSDYYF DLINKAKTVE GVNALKDEIL KA

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	ABD	[U-100% 13C; U-100% 15N]		0.8 mM
2	H2O	natural abundance		90 %
3	D2O	natural abundance		90 %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
4	ABD	[U-10% 13C; U-100% 15N]		0.8 mM
5	H2O	natural abundance		90 %
6	D2O	natural abundance		90 %

Protein Blocks Logo

Calculated from 20 models in PDB: 2N35, Strand ID: A Detail

Release date

2015-08-30

Citation

Fusion to a highly stable consensus albumin binding domain allows for tunable pharmacokinetics
Jacobs, S.A., Gibbs, A.C., Conk, M., Yi, F., Maguire, D., O'Neil, K.T.
Protein Eng. Des. Sel. (2015), 28, 385-393, PubMed 26275855 , DOI 10.1093/protein/gzv040 , Abstract

Related entities 1. ABD monomer, : 1 : 26 entities Detail

Experiments performed 9 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	ABD	[U-100% 13C; U-100% 15N]		0.8 mM
2	H2O	natural abundance		90 %
3	D2O	natural abundance		90 %

2 2D 1H-13C HSQC

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	ABD	[U-100% 13C; U-100% 15N]		0.8 mM
2	H2O	natural abundance		90 %
3	D2O	natural abundance		90 %

3 3D CBCA(CO)NH

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	ABD	[U-100% 13C; U-100% 15N]		0.8 mM
2	H2O	natural abundance		90 %
3	D2O	natural abundance		90 %

4 3D HNCO

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	ABD	[U-100% 13C; U-100% 15N]		0.8 mM
2	H2O	natural abundance		90 %
3	D2O	natural abundance		90 %

5 3D HNCA

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	ABD	[U-100% 13C; U-100% 15N]		0.8 mM
2	H2O	natural abundance		90 %
3	D2O	natural abundance		90 %

6 3D HCCH-TOCSY

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	ABD	[U-100% 13C; U-100% 15N]		0.8 mM
2	H2O	natural abundance		90 %
3	D2O	natural abundance		90 %

7 3D 1H-15N NOESY

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	ABD	[U-100% 13C; U-100% 15N]		0.8 mM
2	H2O	natural abundance		90 %
3	D2O	natural abundance		90 %

8 3D 1H-15N TOCSY

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	ABD	[U-100% 13C; U-100% 15N]		0.8 mM
2	H2O	natural abundance		90 %
3	D2O	natural abundance		90 %

9 2D 1H-13C HSQC

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
4	ABD	[U-10% 13C; U-100% 15N]		0.8 mM
5	H2O	natural abundance		90 %
6	D2O	natural abundance		90 %

NMR combined restraints 3 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints	combined_25634_2n35.nef
Input source #2: Coordindates	2n35.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--
GTIDEWLLKEAKEKAIEELKKAGITSDYYFDLINKAKTVEGVNALKDEILKA
||||||||||||||||||||||||||||||||||||||||||||||||||||
GTIDEWLLKEAKEKAIEELKKAGITSDYYFDLINKAKTVEGVNALKDEILKA

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	52	0	0	100.0

Content subtype: combined_25634_2n35.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	572		98.1 (chain: A, length: 52)
1	Distance restraints	DYANA/DIANA_distance_constraints_2	OK	700 (1)	noe	98.1 (chain: A, length: 52)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 52, Sequence coverage: 98.1%
- Total number of assignments
  - ¹H chemical shifts: 305
  - ¹³C chemical shifts: 214
  - ¹⁵N chemical shifts: 53
- Completeness of assignments
  - Entity_assemble_ID: A
- 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: 52, Sequence coverage: 98.1%
- Total number of restraints: 700
- Weight of restraints: 1.0 (700)
- Potential type of restraints: upper-bound-parabolic (700)
- Range of distance target values: 1.55, 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 albumin binding domain, three-helix bundle