BMRBj - BMREntryMaster

Found 1 Document (0.332 seconds)

BMRB: 34354

6I31

Truncated Evasin-3 (tEv3 17-56)

Authors

Denisov, S.S., Ippel, J.H., Heinzman, A.C.A., Koenen, R.R., Ortega-Gomez, A., Soehnlein, O., Hackeng, T.M., Dijkgraaf, I.

Assembly

Evasin-3

Entity

1. Evasin-3 (polymer, Thiol state: all disulfide bound), 40 monomers, 4309.881 Da Detail

FDVVSCNKNC TSGQNECPEG CFCGLLGQNK KGHCYKIIGN

Formula weight

4309.881 Da

Entity Connection

disulfide 3 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS6:SG	1:CYS21:SG
2	disulfide	sing	1:CYS10:SG	1:CYS23:SG
3	disulfide	sing	1:CYS17:SG	1:CYS34:SG

Source organism

Rhipicephalus sanguineus

Exptl. method

Refine. method

torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 97.5 %, Completeness: 87.8 %, Completeness (bb): 79.4 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	87.8 % (390 of 444)	97.0 % (226 of 233)	73.3 % (121 of 165)	93.5 % (43 of 46)
Backbone	79.4 % (189 of 238)	95.3 % (81 of 85)	63.2 % (72 of 114)	92.3 % (36 of 39)
Sidechain	97.5 % (234 of 240)	98.0 % (145 of 148)	96.5 % (82 of 85)	100.0 % (7 of 7)
Aromatic	100.0 % (32 of 32)	100.0 % (16 of 16)	100.0 % (16 of 16)
Methyl	84.6 % (22 of 26)	84.6 % (11 of 13)	84.6 % (11 of 13)

1. entity 1

FDVVSCNKNC TSGQNECPEG CFCGLLGQNK KGHCYKIIGN

Show sample condition

Sample

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 37 K, pH 4.5, Details 100 mM EDTA, 200 mM sodium azide, 25 mM [U-2H] sodium acetate, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	entity_1			0.0 ~ 0.0 mM
2	EDTA	natural abundance		100 mM
3	sodium azide	natural abundance		200 mM
4	sodium acetate	[U-2H]		25 mM

Protein Blocks Logo

Calculated from 20 models in PDB: 6QJB, Strand ID: A Detail

Release date

2019-09-25

Citation

Tick saliva protein Evasin-3 modulates chemotaxis by disrupting CXCL8 interactions with glycosaminoglycans and CXCR2
Denisov, S.S., Ippel, J.H., Heinzmann, A.C.A., Koenen, R.R., Ortega-Gomez, A., Soehnlein, O., Hackeng, T.M., Dijkgraaf, I.
J. Biol. Chem. (2019), 294, 12370-12379, PubMed 31235521 , DOI 10.1074/jbc.RA119.008902 , Abstract

Related entities 1. Evasin-3, : 1 : 2 entities Detail

Experiments performed 6 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker AVANCE III - 700 MHz

Sample

State anisotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 37 K, pH 4.5, Details 100 mM EDTA, 200 mM sodium azide, 25 mM [U-2H] sodium acetate, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	entity_1			0.0 ~ 0.0 mM
2	EDTA	natural abundance		100 mM
3	sodium azide	natural abundance		200 mM
4	sodium acetate	[U-2H]		25 mM

2 3D HNCO

Instrument

Bruker AVANCE III - 700 MHz

Sample

State anisotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 37 K, pH 4.5, Details 100 mM EDTA, 200 mM sodium azide, 25 mM [U-2H] sodium acetate, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	entity_1			0.0 ~ 0.0 mM
2	EDTA	natural abundance		100 mM
3	sodium azide	natural abundance		200 mM
4	sodium acetate	[U-2H]		25 mM

3 3D HNCACB

Instrument

Bruker AVANCE III - 700 MHz

Sample

State anisotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 37 K, pH 4.5, Details 100 mM EDTA, 200 mM sodium azide, 25 mM [U-2H] sodium acetate, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	entity_1			0.0 ~ 0.0 mM
2	EDTA	natural abundance		100 mM
3	sodium azide	natural abundance		200 mM
4	sodium acetate	[U-2H]		25 mM

4 3D CBCA(CO)NH

Instrument

Bruker AVANCE III - 700 MHz

Sample

State anisotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 37 K, pH 4.5, Details 100 mM EDTA, 200 mM sodium azide, 25 mM [U-2H] sodium acetate, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	entity_1			0.0 ~ 0.0 mM
2	EDTA	natural abundance		100 mM
3	sodium azide	natural abundance		200 mM
4	sodium acetate	[U-2H]		25 mM

5 2D 1H-13C HSQC

Instrument

Bruker AVANCE III - 700 MHz

Sample

State anisotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 37 K, pH 4.5, Details 100 mM EDTA, 200 mM sodium azide, 25 mM [U-2H] sodium acetate, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	entity_1			0.0 ~ 0.0 mM
2	EDTA	natural abundance		100 mM
3	sodium azide	natural abundance		200 mM
4	sodium acetate	[U-2H]		25 mM

6 2D 1H-1H NOESY

Instrument

Bruker AVANCE III - 700 MHz

Sample

State anisotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 37 K, pH 4.5, Details 100 mM EDTA, 200 mM sodium azide, 25 mM [U-2H] sodium acetate, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	entity_1			0.0 ~ 0.0 mM
2	EDTA	natural abundance		100 mM
3	sodium azide	natural abundance		200 mM
4	sodium acetate	[U-2H]		25 mM

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr34354_3.str
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	True (see coordinates for details)
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	OK

Disulfide bonds

Ptnr_site_1	Ptnr_site_2	Redox_state_prediction_1	Redox_state_prediction_2	Distance (Å)
1:6:CYS:SG	1:21:CYS:SG	oxidized, CA 54.972, CB 44.578 ppm	oxidized, CA 56.018, CB 48.877 ppm	n/a
1:10:CYS:SG	1:23:CYS:SG	oxidized, CA 54.724, CB 49.305 ppm	oxidized, CA 55.369, CB 40.803 ppm	n/a
1:17:CYS:SG	1:34:CYS:SG	oxidized, CA 52.843, CB 37.341 ppm	oxidized, CA 54.732, CB 41.422 ppm	n/a

Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)

None

Non-standard residues

None

Content subtype: bmr34354_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	OK	423		100.0 (chain: 1, length: 40)
1	Chemical shift references	chem_shift_reference_1	OK	3		No information

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1
- Status: OK
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 40, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 257
  - ¹³C chemical shifts: 122
  - ¹⁵N chemical shifts: 44
- Completeness of assignments
  - Entity_assemble_ID: 1
- 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: 1

Keywords IMMUNE SYSTEM, chemokine-binding protein, ticks