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BMRB: 17973

2LT5

Onconase zymogen FLG variant

Authors

Vilanova, M., Callis, M., Laurents, D.V., Ribo, M., Bruix, M., Serrano, S.

Assembly

onconase FLG variant

Entity

1. onconase FLG variant (polymer, Thiol state: all disulfide bound), 120 monomers, 13224.98 Da Detail

RPCKYKLKKS TNKFCVTCEN QAPVHFVGVG SCGSGGSGIF LETSLSAGSD WLTFQKKHIT NTRDVDCXNI MSTNLFHCKD KNTFIYSRPE PVKAICKGII ASKNVLTTSE FYLSDCNVTS

Formula weight

13224.98 Da

Entity Connection

disulfide 4 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS15:SG	1:CYS32:SG
2	disulfide	sing	1:CYS18:SG	1:CYS96:SG
3	disulfide	sing	1:CYS3:SG	1:CYS78:SG
4	disulfide	sing	1:CYS67:SG	1:CYS116:SG

Source organism

Lithobates pipiens

Exptl. method

solution NMR

Refine. method

energy minimization

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 98.3 %, Completeness: 95.5 %, Completeness (bb): 98.6 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	95.5 % (1306 of 1367)	97.3 % (688 of 707)	92.3 % (493 of 534)	99.2 % (125 of 126)
Backbone	98.6 % (696 of 706)	99.2 % (240 of 242)	98.0 % (342 of 349)	99.1 % (114 of 115)
Sidechain	93.3 % (720 of 772)	96.3 % (448 of 465)	88.2 % (261 of 296)	100.0 % (11 of 11)
Aromatic	72.0 % (85 of 118)	91.5 % (54 of 59)	51.7 % (30 of 58)	100.0 % (1 of 1)
Methyl	98.3 % (116 of 118)	100.0 % (59 of 59)	96.6 % (57 of 59)

1. onconase FLG variant

RPCKYKLKKS TNKFCVTCEN QAPVHFVGVG SCGSGGSGIF LETSLSAGSD WLTFQKKHIT NTRDVDCXNI MSTNLFHCKD KNTFIYSRPE PVKAICKGII ASKNVLTTSE FYLSDCNVTS

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K

#	Name	Isotope labeling	Concentration
1	buffer 10x	natural abundance	25 uL
2	H2O MQ	natural abundance	200 uL
3	DSS	natural abundance	2 uL
4	NaN3	natural abundance	2 uL
5	ONC_FLG	[U-100% 15N; U-13C]	2.8 mM

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 273 K

#	Name	Isotope labeling	Concentration
6	buffer 10x	natural abundance	25 uL
7	D2O	[U-100% 2H]	200 uL
8	DSS	natural abundance	2 uL
9	NaN3	natural abundance	2 uL
10	ONC_FLG	[U-100% 15N]	1.8 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: -0.12 ppm, Outliers: 3 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: -0.12 ppm, Outliers: 3 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: 0.01 ppm, Outliers: 2 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: 0.29 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2LT5, Strand ID: A Detail

Release date

2012-03-08

Citation

(1)H, (13)C and (15)N resonance assignments of the Onconase FL-G zymogen
Serrano, S., Callis, M., Vilanova, M., Benito, A., Laurents, D.V., Ribo, M., Bruix, M.
Biomol. NMR Assign. (2013), 7, 13-15, PubMed 22392335 , DOI 10.1007/s12104-012-9367-0 , Abstract