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BMRB: 27051

6NAN

1H, 15N and 13C resonance assignments of the Ixolaris, a tissue factor pathway inhibitor from the tick salivary gland

Authors

de Paula, V.S., Silva, F.H.S., Francischette, I., Monteiro, R.Q., Valente, A.

Assembly

Ixolaris

Entity

1. Ixolaris (polymer, Thiol state: all disulfide bound), 142 monomers, 15940.38 Da Detail

AMAERVSEMD IYEFESWVSC LDPEQVTCES QEGTHASYNR KTGQCEEQKG TECGGGENHF ETLLKCNESC NDAPKPPCSL EVDYGVGRAN IPRWYYDTNN ATCEMFTYGG ITGNKNNFES EEECKETCKG FSLLKKVNVT IN

Formula weight

15940.38 Da

Entity Connection

disulfide 5 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS20:SG	1:CYS70:SG
2	disulfide	sing	1:CYS28:SG	1:CYS53:SG
3	disulfide	sing	1:CYS45:SG	1:CYS66:SG
4	disulfide	sing	1:CYS78:SG	1:CYS128:SG
5	disulfide	sing	1:CYS103:SG	1:CYS124:SG

Source organism

Ixodes scapularis

Exptl. method

solution NMR

Refine. method

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 97.9 %, Completeness: 87.2 %, Completeness (bb): 94.2 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	87.2 % (1389 of 1592)	88.4 % (734 of 830)	85.3 % (518 of 607)	88.4 % (137 of 155)
Backbone	94.2 % (793 of 842)	93.5 % (272 of 291)	95.9 % (397 of 414)	90.5 % (124 of 137)
Sidechain	82.2 % (723 of 880)	85.7 % (462 of 539)	76.8 % (248 of 323)	72.2 % (13 of 18)
Aromatic	26.2 % (34 of 130)	46.2 % (30 of 65)	3.2 % (2 of 63)	100.0 % (2 of 2)
Methyl	91.2 % (93 of 102)	90.2 % (46 of 51)	92.2 % (47 of 51)

1. Ixolaris

AMAERVSEMD IYEFESWVSC LDPEQVTCES QEGTHASYNR KTGQCEEQKG TECGGGENHF ETLLKCNESC NDAPKPPCSL EVDYGVGRAN IPRWYYDTNN ATCEMFTYGG ITGNKNNFES EEECKETCKG FSLLKKVNVT IN

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 6

#	Name	Isotope labeling	Type	Concentration
1	Ixolaris	[U-99% 13C; U-99% 15N]		0.18 mM

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: -0.92 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: -0.92 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: -0.07 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: -0.6 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 10 models in PDB: 6NAN, Strand ID: A Detail

Release date

2017-03-19

Citation

¹H, ¹⁵N and ¹³C resonance assignments of Ixolaris, a tissue factor pathway inhibitor from the tick salivary gland
de Paula, V., Silva, F., Francischette, I., Monteiro, R., Valente, A.
Biomol. NMR Assign. (2017), 11, 293-296, PubMed 28856584 , DOI 10.1007/s12104-017-9766-3 , Abstract

Related entities 1. Ixolaris, : 3 entities Detail

Experiments performed 12 experiments Detail

1 2D 1H-15N HSQC