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BMRB: 15785

2K45

C2A domain of synaptototagmin I solution structure in the FGF-1-C2A binary complex: key component in the fibroblast growthfactor non-classical pathway

Authors

Mohan, S.KRISHNA., Yu, C.

Assembly

C2A

Entity

1. C2A (polymer, Thiol state: all free), 128 monomers, 14763.71 Da Detail

EKLGKLQYSL DYDFQNNQLL VGIIQAAELP ALDMGGTSDP YVKVFLLPDK KKKFETKVHR KTLNPVFNEQ FTFKVPYSEL GGKTLVMAVY DFDRFSKHDI IGEFKVPMNT VDFGHVTEEW RDLQSAEK

Formula weight

14763.71 Da

Source organism

Exptl. method

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 88.8 %, Completeness (bb): 99.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	88.8 % (1397 of 1573)	89.6 % (736 of 821)	85.4 % (528 of 618)	99.3 % (133 of 134)
Backbone	99.3 % (751 of 756)	99.6 % (257 of 258)	99.2 % (373 of 376)	99.2 % (121 of 122)
Sidechain	81.6 % (765 of 937)	85.1 % (479 of 563)	75.7 % (274 of 362)	100.0 % (12 of 12)
Aromatic	8.5 % (14 of 164)	15.9 % (13 of 82)	0.0 % (0 of 81)	100.0 % (1 of 1)
Methyl	98.5 % (134 of 136)	98.5 % (67 of 68)	98.5 % (67 of 68)

1. C2A

EKLGKLQYSL DYDFQNNQLL VGIIQAAELP ALDMGGTSDP YVKVFLLPDK KKKFETKVHR KTLNPVFNEQ FTFKVPYSEL GGKTLVMAVY DFDRFSKHDI IGEFKVPMNT VDFGHVTEEW RDLQSAEK

Show sample condition

Sample

Solvent system 90% H2O, 10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 25mM Phosphate buffer; 90%H20, 10% D20

#	Name	Isotope labeling	Type	Concentration
1	C2A	[U-100% 13C; U-100% 15N]		1.0 mM
2	Phosphate buffer			25 mM
3	H2O	natural abundance		90 %
4	D2O			10 %

Protein Blocks Logo

Calculated from 20 models in PDB: 2K45, Strand ID: A Detail

Release date

2008-05-27

Citation

A residue-level investigation of the equilibrium unfolding of the C2A domain of synaptotagmin 1
Anbazhagan, V., Wang, H., Lu, C., Yu, C.
Arch. Biochem. Biophys. (2009), 490, 158-162, PubMed 19723500 , DOI 10.1016/j.abb.2009.08.018 , Abstract

Related entities 1. C2A, : 1 : 14 : 17 : 405 entities Detail

Interaction partners 1. C2A, : 27 interactors Detail

More details for 27 interactors identified by 15 citations

Experiments performed 10 experiments Detail

1 3D_15N-separated_NOESY

Instrument

Bruker AV800 - 800 MHz

Sample

State isotropic, Solvent system 90% H2O, 10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 25mM Phosphate buffer; 90%H20, 10% D20

#	Name	Isotope labeling	Type	Concentration
1	C2A	[U-100% 13C; U-100% 15N]		1.0 mM
2	Phosphate buffer			25 mM
3	H2O	natural abundance		90 %
4	D2O			10 %

2 2D 1H-15N HSQC

Instrument

Bruker AV600 - 600 MHz

Sample

State isotropic, Solvent system 90% H2O, 10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 25mM Phosphate buffer; 90%H20, 10% D20

#	Name	Isotope labeling	Type	Concentration
1	C2A	[U-100% 13C; U-100% 15N]		1.0 mM
2	Phosphate buffer			25 mM
3	H2O	natural abundance		90 %
4	D2O			10 %

3 2D 1H-13C HSQC

Instrument

Bruker AV600 - 600 MHz

Sample

State isotropic, Solvent system 90% H2O, 10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 25mM Phosphate buffer; 90%H20, 10% D20

#	Name	Isotope labeling	Type	Concentration
1	C2A	[U-100% 13C; U-100% 15N]		1.0 mM
2	Phosphate buffer			25 mM
3	H2O	natural abundance		90 %
4	D2O			10 %

4 3D CBCA(CO)NH

Instrument

Bruker AV600 - 600 MHz

Sample

State isotropic, Solvent system 90% H2O, 10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 25mM Phosphate buffer; 90%H20, 10% D20

#	Name	Isotope labeling	Type	Concentration
1	C2A	[U-100% 13C; U-100% 15N]		1.0 mM
2	Phosphate buffer			25 mM
3	H2O	natural abundance		90 %
4	D2O			10 %

5 3D HNCA

Instrument

Bruker AV600 - 600 MHz

Sample

State isotropic, Solvent system 90% H2O, 10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 25mM Phosphate buffer; 90%H20, 10% D20

#	Name	Isotope labeling	Type	Concentration
1	C2A	[U-100% 13C; U-100% 15N]		1.0 mM
2	Phosphate buffer			25 mM
3	H2O	natural abundance		90 %
4	D2O			10 %

6 3D HN(CO)CA

Instrument

Bruker AV600 - 600 MHz

Sample

State isotropic, Solvent system 90% H2O, 10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 25mM Phosphate buffer; 90%H20, 10% D20

#	Name	Isotope labeling	Type	Concentration
1	C2A	[U-100% 13C; U-100% 15N]		1.0 mM
2	Phosphate buffer			25 mM
3	H2O	natural abundance		90 %
4	D2O			10 %

7 3D HBHA(CO)NH

Instrument

Bruker AV600 - 600 MHz

Sample

State isotropic, Solvent system 90% H2O, 10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 25mM Phosphate buffer; 90%H20, 10% D20

#	Name	Isotope labeling	Type	Concentration
1	C2A	[U-100% 13C; U-100% 15N]		1.0 mM
2	Phosphate buffer			25 mM
3	H2O	natural abundance		90 %
4	D2O			10 %

8 3D HNCO

Instrument

Bruker AV600 - 600 MHz

Sample

State isotropic, Solvent system 90% H2O, 10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 25mM Phosphate buffer; 90%H20, 10% D20

#	Name	Isotope labeling	Type	Concentration
1	C2A	[U-100% 13C; U-100% 15N]		1.0 mM
2	Phosphate buffer			25 mM
3	H2O	natural abundance		90 %
4	D2O			10 %

9 3D 1H-15N TOCSY

Instrument

Bruker AV600 - 600 MHz

Sample

State isotropic, Solvent system 90% H2O, 10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 25mM Phosphate buffer; 90%H20, 10% D20

#	Name	Isotope labeling	Type	Concentration
1	C2A	[U-100% 13C; U-100% 15N]		1.0 mM
2	Phosphate buffer			25 mM
3	H2O	natural abundance		90 %
4	D2O			10 %

10 3D HCCH-TOCSY

Instrument

Bruker AV600 - 600 MHz

Sample

State isotropic, Solvent system 90% H2O, 10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 25mM Phosphate buffer; 90%H20, 10% D20

#	Name	Isotope labeling	Type	Concentration
1	C2A	[U-100% 13C; U-100% 15N]		1.0 mM
2	Phosphate buffer			25 mM
3	H2O	natural abundance		90 %
4	D2O			10 %

NMR combined restraints 4 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_15785_2k45.nef
Input source #2: Coordindates	2k45.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
EKLGKLQYSLDYDFQNNQLLVGIIQAAELPALDMGGTSDPYVKVFLLPDKKKKFETKVHRKTLNPVFNEQFTFKVPYSELGGKTLVMAVYDFDRFSKHDI
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
EKLGKLQYSLDYDFQNNQLLVGIIQAAELPALDMGGTSDPYVKVFLLPDKKKKFETKVHRKTLNPVFNEQFTFKVPYSELGGKTLVMAVYDFDRFSKHDI

-------110-------120--------
IGEFKVPMNTVDFGHVTEEWRDLQSAEK
||||||||||||||||||||||||||||
IGEFKVPMNTVDFGHVTEEWRDLQSAEK

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	128	0	0	100.0

Content subtype: combined_15785_2k45.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	chemical_shift_set	Warning	1401		100.0 (chain: A, length: 128)
1	Distance restraints	CNS/XPLOR_distance_constraints_2	OK	1592 (1)	noe	100.0 (chain: A, length: 128)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_3	OK	245 (245)	.	99.2 (chain: A, length: 128)

Assigned chemical shifts

Saveframe: chemical_shift_set
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 128, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 736
  - ¹³C chemical shifts: 531
  - ¹⁵N chemical shifts: 134
- 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

Distance restraints

Saveframe: CNS/XPLOR_distance_constraints_2
- Status: OK
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 128, Sequence coverage: 100.0%
- Total number of restraints: 1592
- Weight of restraints: 1.0 (1592)
- Potential type of restraints: square-well-parabolic (1592)
- Range of distance target values: 1.65, 4.0 (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

Dihedral angle restraints

Saveframe: CNS/XPLOR_dihedral_3
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 128, Sequence coverage: 99.2%
- Total number of restraints: 245
- Total number of restraints per polymer type: 245
- Weight of restraints: 1.0 (245)
- Potential type of restraints: square-well-parabolic (245)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

Keywords beta barrel