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BMRB: 36077

5XI9

Solution structure for human HSP70 substrate binding domain

Authors

Tate, S., Hoshikawa, M., Tochio, N.

Assembly

Heat shock 70 kDa protein 1A

Entity

1. Heat shock 70 kDa protein 1A (polymer, Thiol state: not present), 185 monomers, 20299.66 Da Detail

HMGDKSENVQ DLLLLDVAPL SLGLETAGGV MTALIKRNST IPTKQTQIFT TYSDNQPGVL IQVYEGERAM TKDNNLLGRF ELSGIPPAPR GVPQIEVTFD IDANGILNVT ATDKSTGKAN KITITNDKGR LSKEEIERMV QEAEKYKAED EVQRERVSAK NALESYAFNM KSAVEDEGLK GKISE

Formula weight

20299.66 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 99.5 %, Completeness: 91.6 %, Completeness (bb): 97.4 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	91.6 % (1934 of 2111)	86.7 % (955 of 1102)	96.7 % (785 of 812)	98.5 % (194 of 197)
Backbone	97.4 % (1068 of 1096)	95.8 % (361 of 377)	98.2 % (531 of 541)	98.9 % (176 of 178)
Sidechain	87.2 % (1034 of 1186)	82.1 % (595 of 725)	95.2 % (421 of 442)	94.7 % (18 of 19)
Aromatic	78.9 % (60 of 76)	78.9 % (30 of 38)	78.9 % (30 of 38)
Methyl	95.4 % (206 of 216)	93.5 % (101 of 108)	97.2 % (105 of 108)

1. Heat shock 70 kDa protein 1A

Show sample condition

Sample

Solvent system 94% H2O/6% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 50 mM potassium phosphate, 50 mM potassium chloride, 10 mM DTT, 94% H2O/6% D2O

#	Name	Isotope labeling	Type	Concentration
1	human HSP70 substrate binding domain		protein	0.0 ~ 0.0 mM
2	DTT	natural abundance		10 mM
3	potassium chloride	natural abundance	salt	50 mM
4	potassium phosphate	natural abundance	buffer	50 mM

LACS Plot; CA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.789 ppm	internal	indirect	0.2514495
¹H	water	protons	4.789 ppm	internal	direct	1.0
¹⁵N	water	protons	4.789 ppm	internal	indirect	0.1013291

Referencing offset: -0.02 ppm, Outliers: 2 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.789 ppm	internal	indirect	0.2514495
¹H	water	protons	4.789 ppm	internal	direct	1.0
¹⁵N	water	protons	4.789 ppm	internal	indirect	0.1013291

Referencing offset: -0.02 ppm, Outliers: 2 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.789 ppm	internal	indirect	0.2514495
¹H	water	protons	4.789 ppm	internal	direct	1.0
¹⁵N	water	protons	4.789 ppm	internal	indirect	0.1013291

Referencing offset: -0.03 ppm, Outliers: 2 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.789 ppm	internal	indirect	0.2514495
¹H	water	protons	4.789 ppm	internal	direct	1.0
¹⁵N	water	protons	4.789 ppm	internal	indirect	0.1013291

Referencing offset: 0.24 ppm, Outliers: 3 Detail

Release date

2017-07-05

Citation

Substrate Binding Switches the Conformation at the Lynchpin Site in the Substrate-Binding Domain of Human Hsp70 to Enable Allosteric Interdomain Communication
Umehara, K., Hoshikawa, M., Tochio, N., Tate, S.I.
Molecules (2018), 23, E528-E528, PubMed 29495458 , DOI 10.3390/molecules23030528 , Abstract

Related entities 1. Heat shock 70 kDa protein 1A, : 1 : 9 : 283 entities Detail

Interaction partners 1. Heat shock 70 kDa protein 1A, : 2 interactors Detail

More details for 2 interactors identified by 1 citations

Experiments performed 15 experiments Detail

1 3D HNCO