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BMRB: 16743

2KUN

Three dimensional structure of HuPrP(90-231 M129 Q212P)

Authors

Ilc, G., Giachin, G., Jaremko, M., Jaremko, L., Zhukov, I., Plavec, J., Legname, G.

Assembly

HuPrP(90-231 M129 Q212P)

Entity

1. HuPrP(90-231 M129 Q212P) (polymer, Thiol state: all disulfide bound), 148 monomers, 16939.63 Da Detail

GQGGGTHSQW NKPSKPKTNM KHMAGAAAAG AVVGGLGGYM LGSAMSRPII HFGSDYEDRY YRENMHRYPN QVYYRPMDEY SNQNNFVHDC VNITIKQHTV TTTTKGENFT ETDVKMMERV VEPMCITQYE RESQAYYQRG SSHHHHHH

Formula weight

16939.63 Da

Entity Connection

disulfide 1 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS90:SG	1:CYS125:SG

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

torsion angle dynamics, simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 98.0 %, Completeness: 93.0 %, Completeness (bb): 93.9 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	93.0 % (1578 of 1696)	92.2 % (815 of 884)	94.3 % (615 of 652)	92.5 % (148 of 160)
Backbone	93.9 % (823 of 876)	93.4 % (284 of 304)	94.4 % (406 of 430)	93.7 % (133 of 142)
Sidechain	92.9 % (886 of 954)	91.6 % (531 of 580)	95.5 % (340 of 356)	83.3 % (15 of 18)
Aromatic	86.0 % (153 of 178)	86.5 % (77 of 89)	85.2 % (75 of 88)	100.0 % (1 of 1)
Methyl	98.0 % (100 of 102)	96.1 % (49 of 51)	100.0 % (51 of 51)

1. HuPrP(90-231 M129 Q212P)

GQGGGTHSQW NKPSKPKTNM KHMAGAAAAG AVVGGLGGYM LGSAMSRPII HFGSDYEDRY YRENMHRYPN QVYYRPMDEY SNQNNFVHDC VNITIKQHTV TTTTKGENFT ETDVKMMERV VEPMCITQYE RESQAYYQRG SSHHHHHH

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5

#	Name	Isotope labeling	Concentration
1	PrP(Q212P)	[U-98% 13C; U-98% 15N]	1.0 mM
2	H2O	natural abundance	90 %
3	D2O	natural abundance	10 %
4	NaCl	natural abundance	150 mM

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5

#	Name	Isotope labeling	Concentration
5	PrP(Q212P)	[U-98% 13C; U-98% 15N]	1.0 mM
6	D2O	natural abundance	100 %
7	NaCl	natural abundance	150 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: 0.02 ppm, Outliers: 2 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: 0.02 ppm, Outliers: 2 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: 0.09 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: -0.12 ppm, Outliers: 1 Detail

Protein Blocks Logo

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

Release date

2010-09-01

Citation

NMR structure of the human prion protein with the pathological Q212P mutation reveals unique structural features
Ilc, G., Giachin, G., Jaremko, M., Jaremko, L., Benetti, F., Plavec, J., Zhukov, I., Legname, G.
PLoS One (2010), 5, e11715-e11715, PubMed 20661422 , DOI 10.1371/journal.pone.0011715 , Abstract

Related entities 1. HuPrP(90-231 M129 Q212P), : 1 : 16 : 84 entities Detail

Interaction partners 1. HuPrP(90-231 M129 Q212P), : 73 interactors Detail

More details for 73 interactors identified by 15 citations