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BMRB: 15002

2JM3

Solution structure of the THAP domain from C. elegans C-terminal binding protein (CtBP)

Authors

Liew, C., Crossley, M., Mackay, J.P., Nicholas, H.R.

Assembly

CtBP THAP domain

Entity

1. CtBP THAP domain (polymer, Thiol state: all other bound), 91 monomers, 10508.02 Da Detail

GSMPTTCGFP NCKFRSRYRG LEDNRHFYRI PKRPLILRQR WLTAIGRTEE TVVSQLRICS AHFEGGEKKE GDIPVPDPTV DKQIKIELPP K

2. ZN (non-polymer), 65.409 Da

Total weight

10573.429 Da

Max. entity weight

10508.02 Da

Entity Connection

na 4 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	na	sing	1:CYS7:SG	2:ZN1:ZN
2	na	sing	1:CYS12:SG	2:ZN1:ZN
3	na	sing	1:CYS59:SG	2:ZN1:ZN
4	na	sing	1:HIS62:NE2	2:ZN1:ZN

Source organism

Caenorhabditis elegans

Exptl. method

solution NMR

Refine. method

torsion angle dynamics

Data set

assigned_chemical_shifts, coupling_constants, spectral_peak_list

Chem. Shift Complete

Sequence coverage: 98.9 %, Completeness: 96.0 %, Completeness (bb): 97.5 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	96.0 % (1059 of 1103)	95.2 % (560 of 588)	96.7 % (413 of 427)	97.7 % (86 of 88)
Backbone	97.5 % (515 of 528)	97.8 % (176 of 180)	97.4 % (259 of 266)	97.6 % (80 of 82)
Sidechain	95.3 % (628 of 659)	94.1 % (384 of 408)	97.1 % (238 of 245)	100.0 % (6 of 6)
Aromatic	97.4 % (74 of 76)	97.4 % (37 of 38)	97.3 % (36 of 37)	100.0 % (1 of 1)
Methyl	97.6 % (82 of 84)	100.0 % (42 of 42)	95.2 % (40 of 42)

1. CtBP THAP domain

GSMPTTCGFP NCKFRSRYRG LEDNRHFYRI PKRPLILRQR WLTAIGRTEE TVVSQLRICS AHFEGGEKKE GDIPVPDPTV DKQIKIELPP K

Show sample condition

Sample #1

Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
11	CtBP THAP domain	[U-98% 13C; U-98% 15N]	0.6 mM
12	sodium phosphate		20 mM
13	sodium chloride		100 mM
14	DTT		1 mM
15	DSS		0.1 mM

Sample #2

Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
16	CtBP THAP domain	[U-98% 13C; U-98% 15N]	0.6 mM
17	sodium phosphate		20 mM
18	sodium chloride		100 mM
19	DTT		1 mM
20	DSS		0.1 mM

LACS Plot; CA

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

Referencing offset: -0.08 ppm, Outliers: 2 Detail

LACS Plot; CB

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

Referencing offset: -0.08 ppm, Outliers: 2 Detail

LACS Plot; HA

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

Referencing offset: 0.01 ppm, Outliers: 1 Detail

LACS Plot; CO

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

Referencing offset: 0.35 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2JM3, Strand ID: A Detail

Coupling constant

28 J values in 1 lists
Pressure 1 atm, Temperature 298 K, pH 6.5 Detail

Release date

2015-04-22

Citation

Solution structure of the THAP domain from Caenorhabditis elegans C-terminal binding protein (CtBP)
Liew, C., Crossley, M., Mackay, J.P., Nicholas, H.R.
J. Mol. Biol. (2007), 366, 382-390, PubMed 17174978 , DOI 10.1016/j.jmb.2006.11.058 , Abstract

Entries sharing articles Swiss-Prot: 1 entries Detail

Swiss-Prot: Q20595 released on 2013-10-16
Title CTBP1_CAEEL Entity C-terminal-binding protein 1