BMRB: 11210

Solution structure of the first PDZ domain of amyloid beta A4 precursor protein-binding family A, member 1

Authors

Qin, X., Hayashi, F., Yokoyama, S.

Assembly

amyloid beta (A4) precursor protein-binding, family A, member 1 (X11)

Entity

1. amyloid beta (A4) precursor protein-binding, family A, member 1 (X11) (polymer, Thiol state: all free), 98 monomers, 9977.433 Da Detail

GSSGSSGDVF IEKQKGEILG VVIVESGWGS ILPTVIIANM MHGGPAEKSG KLNIGDQIMS INGTSLVGLP LSTCQSIIKG LKNQSRVKLN IVSGPSSG

Formula weight

9977.433 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

Torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 98.0 %, Completeness: 97.6 %, Completeness (bb): 96.4 % Detail

Download

• NMR-STAR v3.1 (partial)
• BMRB/XML (partial)
• CSV
• TSV

Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	97.6 % (1049 of 1075)	97.7 % (544 of 557)	98.3 % (407 of 414)	94.2 % (98 of 104)
Backbone	96.4 % (559 of 580)	96.2 % (200 of 208)	97.5 % (271 of 278)	93.6 % (88 of 94)
Sidechain	98.8 % (570 of 577)	98.6 % (344 of 349)	99.1 % (216 of 218)	100.0 % (10 of 10)
Aromatic	100.0 % (26 of 26)	100.0 % (13 of 13)	100.0 % (12 of 12)	100.0 % (1 of 1)
Methyl	100.0 % (122 of 122)	100.0 % (61 of 61)	100.0 % (61 of 61)

1. PDZ domain

GSSGSSGDVF IEKQKGEILG VVIVESGWGS ILPTVIIANM MHGGPAEKSG KLNIGDQIMS INGTSLVGLP LSTCQSIIKG LKNQSRVKLN IVSGPSSG

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 (±0.001) atm, Temperature 293 (±0.1) K, pH 7.0 (±0.05), Details 1.55mM 13C, 15N-labeled {protein;} 20mM {d-Tris-HCl(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% NaN3

#	Name	Isotope labeling	Type	Concentration
1	PDZ domain	[U-13C; U-15N]	protein	1.55 mM
2	d-Tris-HCl	natural abundance	buffer	20 mM
3	NaCl	natural abundance	salt	100 mM
4	d-DTT	natural abundance	salt	1 mM
5	NaN3	natural abundance	salt	0.02 %
6	H2O		solvent	90 %
7	D2O		solvent	10 %

Hide sample codition

LACS Plot; CA

Referencing offset: -0.13 ppm, Outliers: 2 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	null	indirect	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

Hide chemical shift referencing parameters

LACS Plot; CB

Referencing offset: -0.13 ppm, Outliers: 2 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	null	indirect	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

Hide chemical shift referencing parameters

LACS Plot; HA

Referencing offset: -0.06 ppm, Outliers: 1 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	null	indirect	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

Hide chemical shift referencing parameters

LACS Plot; CO

Referencing offset: 0.07 ppm, Outliers: 2 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	null	indirect	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

Hide chemical shift referencing parameters

Protein Blocks Logo

Calculated from 20 models in PDB: 1X45, Strand ID: A Detail

---

Release date

2011-07-20

Citation

Solution structure of the first PDZ domain of amyloid beta A4 precursor protein-binding family A, member 1
Qin, X., Hayashi, F., Yokoyama, S.

Related entities 1. amyloid beta (A4) precursor protein-binding, family A, member 1 (X11), : 1 : 9 : 92 entities Detail

Interaction partners 1. amyloid beta (A4) precursor protein-binding, family A, member 1 (X11), : 11 interactors Detail

Experiments performed 2 experiments Detail