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BMRB: 18642

2LWR

Protein structure

Authors

Mercier, P., Spratt, D.E., Manczyk, N., Shaw, G.S.

Assembly

Protein

Entity

1. Protein (polymer, Thiol state: free and other bound), 68 monomers, 7659.660 Da Detail

GSAEARWDEA SNVTIKVSTK PCPKCRTPTE RDGGCMHMVC TRAGCGFEWC WVCQTEWTRD CMGAHWFG

2. ZINC ION (non-polymer, Thiol state: not present), 65.409 × 2 Da

Total weight

7790.478 Da

Max. entity weight

7659.66 Da

Entity Connection

na 8 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	na	sing	1:CYS22:SG	2:ZN1:ZN
2	na	sing	1:CYS25:SG	2:ZN1:ZN
3	na	sing	1:CYS40:SG	2:ZN1:ZN
4	na	sing	1:CYS45:SG	2:ZN1:ZN
5	na	sing	1:CYS50:SG	2:ZN1:ZN
6	na	sing	1:CYS53:SG	2:ZN1:ZN
7	na	sing	1:CYS61:SG	2:ZN1:ZN
8	na	sing	1:HIS65:NE2	2:ZN1:ZN

Source organism

Drosophila melanogaster

Exptl. method

solution NMR

Refine. method

torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 98.5 %, Completeness: 88.0 %, Completeness (bb): 87.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	88.0 % (661 of 751)	88.1 % (342 of 388)	88.0 % (256 of 291)	87.5 % (63 of 72)
Backbone	87.1 % (350 of 402)	91.4 % (128 of 140)	84.8 % (167 of 197)	84.6 % (55 of 65)
Sidechain	87.6 % (359 of 410)	84.7 % (210 of 248)	91.6 % (142 of 155)	100.0 % (7 of 7)
Aromatic	81.8 % (72 of 88)	81.8 % (36 of 44)	79.5 % (31 of 39)	100.0 % (5 of 5)
Methyl	88.6 % (39 of 44)	86.4 % (19 of 22)	90.9 % (20 of 22)

1. Protein

GSAEARWDEA SNVTIKVSTK PCPKCRTPTE RDGGCMHMVC TRAGCGFEWC WVCQTEWTRD CMGAHWFG

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.25, Details Added Roche EDTA-free protease inhibitor cocktail (~10 uM) to limit proteolysis during data collection

#	Name	Isotope labeling	Concentration
1	TRIS	natural abundance	20 mM
2	sodium chloride	natural abundance	120 mM
3	DTT	natural abundance	5 mM
4	Protein	[U-98% 15N]	500 uM
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

Sample #2

#	Name	Isotope labeling	Concentration
7	TRIS	natural abundance	20 mM
8	sodium chloride	natural abundance	120 mM
9	DTT	natural abundance	5 mM
10	Protein	[U-98% 13C; U-98% 15N]	500 uM
11	H2O	natural abundance	90 %
12	D2O	natural abundance	10 %

Sample #3

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.25, Details Added Roche EDTA-free protease inhibitor cocktail (~10 uM) to limit proteolysis during data collection

#	Name	Isotope labeling	Concentration
13	TRIS	natural abundance	20 mM
14	sodium chloride	natural abundance	120 mM
15	DTT	natural abundance	5 mM
16	Protein	[U-98% 13C; U-98% 15N]	500 uM
17	D2O	natural abundance	100 %

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: -0.16 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: -0.16 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: 0.0 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: 0.41 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 19 models in PDB: 2LWR, Strand ID: A Detail

Release date

2013-06-09

Citation

A molecular explanation for the recessive nature of parkin-linked Parkinson's disease
Spratt, D.E., Julio Martinez-Torres, R., Noh, Y.J., Mercier, P., Manczyk, N., Barber, K.R., Aguirre, J.D., Burchell, L., Purkiss, A., Walden, H., Shaw, G.S.
Nat. Commun. (2013), 4, 1983-1983, PubMed 23770917 , DOI 10.1038/ncomms2983 , Abstract