BMRB: 11324

Solution structure of the thap domain of the human thap domain-containing protein 2

Authors

Miyamoto, K., Kigawa, T., Tomizawa, T., Koshiba, S., Inoue, M., Yokoyama, S.

Assembly

THAP domain-containing protein 2

Entity

1. THAP (polymer, Thiol state: free and other bound), 99 monomers, 11018.51 Da Detail

GSSGSSGMPT NCAAAGCATT YNKHINISFH RFPLDPKRRK EWVRLVRRKN FVPGKHTFLC SKHFEASCFD LTGQTRRLKM DAVPTIFDFC THISGPSSG

2. ZINC ION (non-polymer), 65.409 Da

Total weight

11083.919 Da

Max. entity weight

11018.51 Da

Entity Connection

na 4 Detail

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	na	sing	1:CYS12:SG	2:ZN1:ZN
2	na	sing	1:CYS17:SG	2:ZN1:ZN
3	na	sing	1:CYS60:SG	2:ZN1:ZN
4	na	sing	1:HIS63:NE2	2:ZN1:ZN

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 89.9 %, Completeness: 91.1 %, Completeness (bb): 86.8 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	91.1 % (1040 of 1141)	91.1 % (542 of 595)	93.1 % (416 of 447)	82.8 % (82 of 99)
Backbone	86.8 % (505 of 582)	84.5 % (169 of 200)	90.0 % (260 of 289)	81.7 % (76 of 93)
Sidechain	95.4 % (620 of 650)	94.4 % (373 of 395)	96.8 % (241 of 249)	100.0 % (6 of 6)
Aromatic	96.7 % (116 of 120)	96.7 % (58 of 60)	96.6 % (57 of 59)	100.0 % (1 of 1)
Methyl	100.0 % (80 of 80)	100.0 % (40 of 40)	100.0 % (40 of 40)

1. THAP

GSSGSSGMPT NCAAAGCATT YNKHINISFH RFPLDPKRRK EWVRLVRRKN FVPGKHTFLC SKHFEASCFD LTGQTRRLKM DAVPTIFDFC THISGPSSG

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), Details 0.84mM THAP domain {U-13C,15N;} 20mM {d-Tris-HCl(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 0.05mM {ZNCl2;} 1.0mM {IDA;} 90% H2O, 10% D2O

#	Name	Isotope labeling	Type	Concentration
1	THAP domain	[U-13C; U-15N]	protein	0.84 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	ZnCl2	natural abundance	salt	0.05 mM
7	IDA	natural abundance	salt	1.0 mM
8	H2O		solvent	90 %
9	D2O		solvent	10 %

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LACS Plot; CA

Referencing offset: -0.04 ppm, Outliers: 1 Detail

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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

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LACS Plot; CB

Referencing offset: -0.04 ppm, Outliers: 1 Detail

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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

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LACS Plot; HA

Referencing offset: 0.03 ppm, Outliers: 1 Detail

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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

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LACS Plot; CO

Referencing offset: 0.16 ppm, Outliers: 2 Detail

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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

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Protein Blocks Logo

Calculated from 20 models in PDB: 2D8R, Strand ID: A Detail

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Release date

2011-08-18

Citation

Solution structure of the thap domain of the human thap domain-containing protein 2
Miyamoto, K., Kigawa, T., Tomizawa, T., Koshiba, S., Inoue, M., Yokoyama, S.

Related entities 1. THAP, : 1 : 5 : 78 entities Detail

Interaction partners 1. THAP, : 2 interactors Detail

Experiments performed 2 experiments Detail