BMRB: 11143

Solution structure of the CH domain from human MICAL-3 protein

Authors

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

Assembly

Protein MICAL-3

Entity

1. Protein MICAL-3 (polymer, Thiol state: all free), 121 monomers, 13221.78 Da Detail

GSSGSSGVAR SSKLLGWCQR QTDGYAGVNV TDLTMSWKSG LALCAIIHRY RPDLIDFDSL DEQNVEKNNQ LAFDIAEKEL GISPIMTGKE MASVGEPDKL SMVMYLTQFY EMFKDSGPSS G

Formula weight

13221.78 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: 96.7 %, Completeness: 96.3 %, Completeness (bb): 94.6 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	96.3 % (1311 of 1362)	96.0 % (678 of 706)	97.2 % (513 of 528)	93.8 % (120 of 128)
Backbone	94.6 % (679 of 718)	94.0 % (235 of 250)	95.4 % (335 of 351)	93.2 % (109 of 117)
Sidechain	97.6 % (735 of 753)	96.9 % (442 of 456)	98.6 % (282 of 286)	100.0 % (11 of 11)
Aromatic	100.0 % (100 of 100)	100.0 % (50 of 50)	100.0 % (48 of 48)	100.0 % (2 of 2)
Methyl	98.3 % (114 of 116)	96.6 % (56 of 58)	100.0 % (58 of 58)

1. CH domain

GSSGSSGVAR SSKLLGWCQR QTDGYAGVNV TDLTMSWKSG LALCAIIHRY RPDLIDFDSL DEQNVEKNNQ LAFDIAEKEL GISPIMTGKE MASVGEPDKL SMVMYLTQFY EMFKDSGPSS G

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 1.12mM CH domain U-15N, {13C;} 20mM d-Tris-HCl(pH {7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 10% D2O

#	Name	Isotope labeling	Type	Concentration
1	CH domain	[U-13C; U-15N]	protein	1.12 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 %

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LACS Plot; CA

Referencing offset: 2.3 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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LACS Plot; CB

Referencing offset: 2.3 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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LACS Plot; HA

Referencing offset: 0.16 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: 2.37 ppm, Outliers: 3 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: 2D88, Strand ID: A Detail

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Release date

2011-03-31

Citation

Solution structure of the CH domain from human MICAL-3 protein
Tomizawa, T., Kigawa, T., Koshiba, S., Inoue, M., Yokoyama, S.

Related entities 1. Protein MICAL-3, : 1 : 2 : 252 entities Detail

Interaction partners 1. Protein MICAL-3, : 26 interactors Detail

Experiments performed 2 experiments Detail