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BMRB: 30505

6E9M

Solution NMR Structure of a Class I Hydrophobin from Wallemia ichthyophaga

Authors

Kenward, C., Langelaan, D.N.

Assembly

Hydrophobin

Entity

1. Hydrophobin (polymer, Thiol state: all disulfide bound), 90 monomers, 9437.580 Da Detail

GSGWESKTGS CNTGKLACCD TNKKVQKSTG EESGLLHTGD VLDQVAIQCT QIPLLIGIAI EDECKNTPTC CEDVEDDGLV GINCTPIPLI

Formula weight

9437.58 Da

Entity Connection

disulfide 4 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS11:SG	1:CYS70:SG
2	disulfide	sing	1:CYS18:SG	1:CYS64:SG
3	disulfide	sing	1:CYS19:SG	1:CYS49:SG
4	disulfide	sing	1:CYS71:SG	1:CYS84:SG

Source organism

Wallemia ichthyophaga EXF-994

Exptl. method

solution NMR

Refine. method

torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 98.9 %, Completeness: 95.0 %, Completeness (bb): 96.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	95.0 % (912 of 960)	92.9 % (459 of 494)	98.4 % (365 of 371)	92.6 % (88 of 95)
Backbone	96.1 % (511 of 532)	95.7 % (178 of 186)	97.7 % (254 of 260)	91.9 % (79 of 86)
Sidechain	94.5 % (480 of 508)	91.2 % (281 of 308)	99.5 % (190 of 191)	100.0 % (9 of 9)
Aromatic	100.0 % (16 of 16)	100.0 % (8 of 8)	100.0 % (7 of 7)	100.0 % (1 of 1)
Methyl	100.0 % (108 of 108)	100.0 % (54 of 54)	100.0 % (54 of 54)

1. entity 1

GSGWESKTGS CNTGKLACCD TNKKVQKSTG EESGLLHTGD VLDQVAIQCT QIPLLIGIAI EDECKNTPTC CEDVEDDGLV GINCTPIPLI

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303.15 K, pH 6.5, Details 250 uM [U-13C; U-15N] WI1, 20 mM MES, 50 mM sodium chloride, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	WI1	[U-13C; U-15N]	250 uM
2	MES	natural abundance	20 mM
3	sodium chloride	natural abundance	50 mM

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 303.15 K, pH 6.5, Details 100 uM [U-13C; U-15N] WI1, 20 mM MES, 50 mM sodium chloride, 100% D2O

#	Name	Isotope labeling	Concentration
4	WI1	[U-13C; U-15N]	100 uM
5	MES	natural abundance	20 mM
6	sodium chloride	natural abundance	50 mM

LACS Plot; CA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.782 ppm	internal	indirect	0.2514495
¹H	water	protons	4.782 ppm	internal	direct	1.0
¹⁵N	water	protons	4.782 ppm	internal	indirect	0.1013291

Referencing offset: -0.17 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.782 ppm	internal	indirect	0.2514495
¹H	water	protons	4.782 ppm	internal	direct	1.0
¹⁵N	water	protons	4.782 ppm	internal	indirect	0.1013291

Referencing offset: -0.17 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.782 ppm	internal	indirect	0.2514495
¹H	water	protons	4.782 ppm	internal	direct	1.0
¹⁵N	water	protons	4.782 ppm	internal	indirect	0.1013291

Referencing offset: -0.03 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.782 ppm	internal	indirect	0.2514495
¹H	water	protons	4.782 ppm	internal	direct	1.0
¹⁵N	water	protons	4.782 ppm	internal	indirect	0.1013291

Referencing offset: 0.4 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 6E9M, Strand ID: A Detail

Release date

2018-09-05

Citation

Solution NMR Structure of a Class I Hydrophobin from Wallemia ichthyophaga
Kenward, C., Langelaan, D.N.

Related entities 1. Hydrophobin, : 1 : 14 entities Detail

Experiments performed 11 experiments Detail

1 2D 1H-15N HSQC