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BMRB: 5354

1LL8

Structure and Interactions of PAS kinase N-terminal PAS domain: Model for intramolecular kinase regulation

Authors

Amezcua, C.A., Harper, S.M., Rutter, J., Gardner, K.H.

Assembly

Human PAS Kinase PAS-A domain

Entity

1. Human PAS Kinase PAS-A domain (polymer, Thiol state: all free), 114 monomers, 12644.39 Da Detail

GAMDPEFNKA IFTVDAKTTE ILVANDKACG LLGYSSQDLI GQKLTQFFLR SDSDVVEALS EEHMEADGHA AVVFGTVVDI ISRSGEKIPV SVWMKRMRQE RRLCCVVVLE PVER

Formula weight

12644.39 Da

Source organism

Homo sapiens

Exptl. method

NMR

Refine. method

molecular dynamics/simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 99.1 %, Completeness: 97.6 %, Completeness (bb): 96.9 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	97.6 % (1268 of 1299)	98.1 % (657 of 670)	97.1 % (496 of 511)	97.5 % (115 of 118)
Backbone	96.9 % (657 of 678)	97.4 % (226 of 232)	96.4 % (323 of 335)	97.3 % (108 of 111)
Sidechain	98.5 % (717 of 728)	98.4 % (431 of 438)	98.6 % (279 of 283)	100.0 % (7 of 7)
Aromatic	96.2 % (75 of 78)	97.4 % (38 of 39)	94.7 % (36 of 38)	100.0 % (1 of 1)
Methyl	100.0 % (144 of 144)	100.0 % (72 of 72)	100.0 % (72 of 72)

1. PAS Kinase PAS-A domain

GAMDPEFNKA IFTVDAKTTE ILVANDKACG LLGYSSQDLI GQKLTQFFLR SDSDVVEALS EEHMEADGHA AVVFGTVVDI ISRSGEKIPV SVWMKRMRQE RRLCCVVVLE PVER

Show sample condition

Sample

Temperature 298 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	PAS Kinase PAS-A domain	[U-15N; U-13C]		0.8 ~ 1.2 mM

LACS Plot; CA

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

Referencing offset: -0.33 ppm, Outliers: 2 Detail

LACS Plot; CB

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

Referencing offset: -0.33 ppm, Outliers: 2 Detail

LACS Plot; HA

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

Referencing offset: -0.08 ppm, Outliers: 1 Detail

LACS Plot; CO

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

Referencing offset: 0.19 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 1LL8, Strand ID: A Detail

Release date

2003-01-26

Citation 1

Structure and interactions of PAS kinase N-terminal PAS domain: model for intramolecular kinase regulation
Amezcua, C.A., Harper, S.M., Rutter, J., Gardner, K.H.
Structure (2002), 10, 1349-1361, PubMed 12377121 , DOI: , Abstract

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Citation 2

NMRPipe: a multidimensional spectral processing system based on UNIX pipes
Delaglio, F., Grzesiek, S., Vuister, G.W., Zhu, G., Pfeifer, J., Bax, A.
J. Biomol. NMR (1995), 6, 277-293, PubMed 8520220 , Abstract

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Related entities 1. Human PAS Kinase PAS-A domain, : 1 : 2 : 24 entities Detail

Interaction partners 1. Human PAS Kinase PAS-A domain, : 61 interactors Detail

More details for 61 interactors identified by 8 citations

Experiments performed 15 experiments Detail

1 1H-15N HSQC