BMRB: 11222

Solution structure of the first SH3 domain of human KIAA0769 protein

Authors

Qin, X., Izumi, K., Yoshida, M., Hayashi, F., Yokoyama, S.

Assembly

first SH3 domain of human KIAA0769 protein

Entity

1. first SH3 domain of human KIAA0769 protein (polymer, Thiol state: all free), 78 monomers, 8542.312 Da Detail

GSSGSSGTLR NYPLTCKVVY SYKASQPDEL TIEEHEVLEV IEDGDMEDWV KARNKVGQVG YVPEKYLQFP TSSGPSSG

Formula weight

8542.312 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

Torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 94.9 %, Completeness: 95.2 %, Completeness (bb): 92.8 % Detail

Download

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

Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	95.2 % (832 of 874)	94.5 % (429 of 454)	96.8 % (330 of 341)	92.4 % (73 of 79)
Backbone	92.8 % (425 of 458)	89.9 % (143 of 159)	95.1 % (215 of 226)	91.8 % (67 of 73)
Sidechain	97.3 % (473 of 486)	96.6 % (285 of 295)	98.4 % (182 of 185)	100.0 % (6 of 6)
Aromatic	98.5 % (65 of 66)	97.0 % (32 of 33)	100.0 % (32 of 32)	100.0 % (1 of 1)
Methyl	100.0 % (72 of 72)	100.0 % (36 of 36)	100.0 % (36 of 36)

1. SH3 domain

GSSGSSGTLR NYPLTCKVVY SYKASQPDEL TIEEHEVLEV IEDGDMEDWV KARNKVGQVG YVPEKYLQFP TSSGPSSG

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 (±0.001) atm, Temperature 298 (±0.1) K, pH 7.0 (±0.05), Details 1.18mM 13C,15N-labeled {protein;} 20mM {d-Tris-HCl(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 90% H2O, 10% D2O

#	Name	Isotope labeling	Type	Concentration
1	SH3 domain	[U-13C; U-15N]	protein	1.18 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: 2.4 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; CB

Referencing offset: 2.4 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; HA

Referencing offset: 0.01 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; CO

Referencing offset: 3.19 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

Protein Blocks Logo

Calculated from 20 models in PDB: 2DL5, Strand ID: A Detail

---

Release date

2011-07-20

Citation

Solution structure of the first SH3 domain of human KIAA0769 protein
Qin, X., Izumi, K., Yoshida, M., Hayashi, F., Yokoyama, S.

Related entities 1. first SH3 domain of human KIAA0769 protein, : 1 : 94 entities Detail

Interaction partners 1. first SH3 domain of human KIAA0769 protein, : 24 interactors Detail

Experiments performed 2 experiments Detail