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BMRB: 16482

2KNX

Solution Structure of complement repeat CR17 from LRP-1

Authors

Guttman, M., Komives, E.

Assembly

LRP-1

Entity

1. CR17 (polymer, Thiol state: all disulfide bound), 50 monomers, 5098.509 Da Detail

GSEGKTCGPS SFSCPGTHVC VPERWLCDGD KDCADGADES IAAGCLYNST

2. CA (non-polymer, Thiol state: not present), 40.078 Da

Total weight

5138.587 Da

Max. entity weight

5098.509 Da

Entity Connection

disulfide 3 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS7:SG	1:CYS20:SG
2	disulfide	sing	1:CYS14:SG	1:CYS33:SG
3	disulfide	sing	1:CYS27:SG	1:CYS45:SG

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

DGSA-distance geometry simulated annealing

Data set

assigned_chemical_shifts, heteronucl_NOEs, heteronucl_T1_relaxation, heteronucl_T2_relaxation

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 92.1 %, Completeness (bb): 88.8 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	92.1 % (453 of 492)	96.4 % (242 of 251)	88.5 % (170 of 192)	83.7 % (41 of 49)
Backbone	88.8 % (261 of 294)	92.3 % (96 of 104)	88.1 % (126 of 143)	83.0 % (39 of 47)
Sidechain	97.5 % (235 of 241)	99.3 % (146 of 147)	94.6 % (87 of 92)	100.0 % (2 of 2)
Aromatic	88.2 % (30 of 34)	100.0 % (17 of 17)	75.0 % (12 of 16)	100.0 % (1 of 1)
Methyl	100.0 % (34 of 34)	100.0 % (17 of 17)	100.0 % (17 of 17)

1. CR17

GSEGKTCGPS SFSCPGTHVC VPERWLCDGD KDCADGADES IAAGCLYNST

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 307 K, pH 7.45, Details contained 50mM 99% deuterated Arginine and 50mM 99% deuterated Glutamic acid, for stability

#	Name	Isotope labeling	Concentration
1	sodium chloride	natural abundance	150 mM
2	HEPES	[U-99% 2H]	20 mM
3	entity_1	[U-99% 13C; U-99% 15N]	0.7 mM
4	CALCIUM ION	natural abundance	5 mM
5	sodium azide	natural abundance	3 mM
6	H2O	natural abundance	90 %
7	D2O	natural abundance	10 %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 307 K, pH 7.45, Details contained 50mM 99% deuterated Arginine and 50mM 99% deuterated Glutamic acid, for stability

#	Name	Isotope labeling	Concentration
8	sodium chloride	natural abundance	150 mM
9	HEPES	[U-99% 2H]	20 mM
10	entity_1	[U-99% 15N]	0.6 mM
11	CALCIUM ION	natural abundance	5 mM
12	sodium azide	natural abundance	3 mM
13	H2O	natural abundance	90 %
14	D2O	natural abundance	10 %

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	external	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: -0.3 ppm, Outliers: 4 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	external	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: -0.3 ppm, Outliers: 4 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	external	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: -0.1 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	external	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: -0.08 ppm, Outliers: 5 Detail

Protein Blocks Logo

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

Heteronucl. T₁

28 T₁ values in 1 lists
Coherence Sz, Field strength (¹H) 600 MHz, Pressure 1 atm, Temperature 307 K, pH 7.45 Detail

Heteronucl. T₂

28 T₂ values in 1 lists
Coherence S(+,-), Field strength (¹H) 600 MHz, Pressure 1 atm, Temperature 307 K, pH 7.45 Detail

Heteronucl. NOE

28 NOE values in 1 lists
Value type relative intensities, Field strength (¹H) 600 MHz, Pressure 1 atm, Temperature 307 K, pH 7.45 Detail

Heteronucl. T₁/T₂

28 T₁/T₂ values in 1 lists
Field strength (¹H) 600 MHz, Pressure 1 atm, Temperature 307 K, pH 7.45 Detail

Release date

2010-02-02

Citation

Decoding of lipoprotein-receptor interactions: properties of ligand binding modules governing interactions with apolipoprotein E
Guttman, M., Prieto, J., Croy, J.E., Komives, E.A.
Biochemistry (2010), 49, 1207-1216, PubMed 20030366 , DOI 10.1021/bi9017208 , Abstract

Related entities 1. CR17, : 1 : 2 : 232 entities Detail

Interaction partners 1. CR17, : 23 interactors Detail

More details for 23 interactors identified by 14 citations