BMRB: 10165

Solution structure of the CBM_21 domain from human protein phosphatase 1, regulatory (inhibitor) subunit 3B

Authors

Tomizawa, T., Koshiba, S., Watanabe, S., Harada, T., Kigawa, T., Yokoyama, S.

Assembly

Protein phosphatase 1, regulatory (Inhibitor) subunit 3B

Entity

1. Protein phosphatase 1, regulatory (Inhibitor) subunit 3B (polymer, Thiol state: all free), 156 monomers, 17753.54 Da Detail

GSSGSSGAES ESFVLDFSQP SADYLDFRNR LQADHVCLEN CVLKDKAIAG TVKVQNLAFE KTVKIRMTFD TWKSYTDFPC QYVKDTYAGS DRDTFSFDIS LPEKIQSYER MEFAVYYECN GQTYWDSNRG KNYRIIRAEL KSTQGMTKPH SGPDLG

Formula weight

17753.54 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

torsion angle dynamics, restrainted molecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 96.8 %, Completeness: 97.0 %, Completeness (bb): 95.4 % Detail

Download

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

Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	97.0 % (1759 of 1814)	97.0 % (915 of 943)	97.4 % (687 of 705)	94.6 % (157 of 166)
Backbone	95.4 % (883 of 926)	94.6 % (300 of 317)	96.3 % (441 of 458)	94.0 % (142 of 151)
Sidechain	98.5 % (1018 of 1034)	98.2 % (615 of 626)	98.7 % (388 of 393)	100.0 % (15 of 15)
Aromatic	99.0 % (192 of 194)	99.0 % (96 of 97)	98.9 % (94 of 95)	100.0 % (2 of 2)
Methyl	100.0 % (130 of 130)	100.0 % (65 of 65)	100.0 % (65 of 65)

1. CBM 21 domain, residues 8-156

GSSGSSGAES ESFVLDFSQP SADYLDFRNR LQADHVCLEN CVLKDKAIAG TVKVQNLAFE KTVKIRMTFD TWKSYTDFPC QYVKDTYAGS DRDTFSFDIS LPEKIQSYER MEFAVYYECN GQTYWDSNRG KNYRIIRAEL KSTQGMTKPH SGPDLG

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 (±0.001) atm, Temperature 296 (±0.1) K, pH 7.0 (±0.05)

#	Name	Isotope labeling	Type	Concentration
1	filamin domain	[U-13C; U-15N]	protein	1.26 mM
2	d-Tris-HCl		buffer	20 mM
3	NaCl		salt	100 mM
4	d-DTT		salt	1 mM
5	NaN3		salt	0.02 %
6	D2O		solvent	10 %
7	H2O		solvent	90 %

Hide sample codition

LACS Plot; CA

Referencing offset: -0.13 ppm, Outliers: 3 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: 3 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: -0.03 ppm, Outliers: 7 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: 0.52 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: 2EEF, Strand ID: A Detail

---

Release date

2009-02-22

Citation

Solution structure of the CBM_21 domain from human protein phosphatase 1, regulatory (inhibitor) subunit 3B
Tomizawa, T., Koshiba, S., Watanabe, S., Harada, T., Kigawa, T., Yokoyama, S.

Related entities 1. Protein phosphatase 1, regulatory (Inhibitor) subunit 3B, : 1 : 2 : 35 entities Detail

Interaction partners 1. Protein phosphatase 1, regulatory (Inhibitor) subunit 3B, : 6 interactors Detail

Experiments performed 2 experiments Detail