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BMRB: 16632

2KR9

Kalirin DH1 NMR structure

Authors

Gorbatyuk, V.Y., Schiller, M.R., Hoch, J.C.

Assembly

Kalirin

Entity

1. Kalirin (polymer, Thiol state: all free), 190 monomers, 21967.97 Da Detail

GPLGSPEFPG RKKEFIMAEL LQTEKAYVRD LHECLETYLW EMTSGVEEIP PGILNKEHII FGNIQEIYDF HNNIFLKELE KYEQLPEDVG HCFVTWADKF QMYVTYCKNK PDSNQLILEH AGTFFDEIQQ RHGLANSISS YLIKPVQRVT KYQLLLKELL TCCEEGKGEL KDGLEVMLSV PKKANDAMHV

Formula weight

21967.97 Da

Source organism

Rattus norvegicus

Exptl. method

solution NMR

Refine. method

simulated annealing, torsion angle dynamics, matrix relaxation

Data set

assigned_chemical_shifts, spectral_peak_list

Chem. Shift Complete1

Sequence coverage: 99.5 %, Completeness: 97.1 %, Completeness (bb): 97.7 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	97.1 % (2246 of 2314)	96.7 % (1170 of 1210)	97.2 % (879 of 904)	98.5 % (197 of 200)
Backbone	97.7 % (1096 of 1122)	97.1 % (372 of 383)	97.7 % (545 of 558)	98.9 % (179 of 181)
Sidechain	96.4 % (1321 of 1370)	96.0 % (794 of 827)	97.1 % (509 of 524)	94.7 % (18 of 19)
Aromatic	97.6 % (201 of 206)	98.1 % (101 of 103)	97.0 % (98 of 101)	100.0 % (2 of 2)
Methyl	97.1 % (200 of 206)	96.1 % (99 of 103)	98.1 % (101 of 103)

1. KalDH1

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1.00 atm, Temperature 298 (±0.5) K, pH 6.80 (±0.05), Details pH 6.8

#	Name	Isotope labeling	Concentration
1	KalDH1	[U-100% 13C; U-100% 15N]	0.6 mM
2	Hepes	natural abundance	50.0 mM
3	H2O	natural abundance	90 %
4	D2O	natural abundance	10 %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1.00 atm, Temperature 298 (±0.5) K, pH 6.80 (±0.05), Details pH 6.8

#	Name	Isotope labeling	Concentration
5	KalDH1	[U-100% 15N]	0.56 mM
6	Hepes	natural abundance	50.00 mM
7	H2O	natural abundance	90 %
8	D2O	natural abundance	10 %

Chem. Shift Complete2

Sequence coverage: 99.5 %, Completeness: 97.2 %, Completeness (bb): 98.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	97.2 % (4500 of 4628)	96.8 % (2343 of 2420)	97.4 % (1761 of 1808)	99.0 % (396 of 400)
Backbone	98.3 % (2206 of 2244)	97.7 % (748 of 766)	98.5 % (1099 of 1116)	99.2 % (359 of 362)
Sidechain	96.5 % (2643 of 2740)	96.2 % (1591 of 1654)	96.9 % (1015 of 1048)	97.4 % (37 of 38)
Aromatic	94.9 % (391 of 412)	95.6 % (197 of 206)	94.1 % (190 of 202)	100.0 % (4 of 4)
Methyl	98.5 % (406 of 412)	98.1 % (202 of 206)	99.0 % (204 of 206)

1. KalDH1

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1.00 atm, Temperature 298 (±0.5) K, pH 6.80 (±0.05), Details pH 6.8

#	Name	Isotope labeling	Concentration
5	KalDH1	[U-100% 15N]	0.56 mM
6	Hepes	natural abundance	50.00 mM
7	H2O	natural abundance	90 %
8	D2O	natural abundance	10 %

LACS Plot; CA

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

Referencing offset: -0.32 ppm, Outliers: 1 Detail

LACS Plot; CB

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

Referencing offset: -0.32 ppm, Outliers: 1 Detail

LACS Plot; HA

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

Referencing offset: 0.02 ppm, Outliers: 1 Detail

LACS Plot; CO

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

Referencing offset: -0.69 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 15 models in PDB: 2KR9, Strand ID: A Detail

Release date

2009-12-10

Citation 1

N-terminal Dbl domain of the RhoGEF, Kalirin
Gorbatyuk, V.Y., Schiller, M.R., Gorbatyuk, O.I., Barwinski, M., Hoch, J.C.
J. Biomol. NMR (2012), 52, 269-276, PubMed 22314704 , DOI 10.1007/s10858-012-9605-x , Abstract

Show more 1 citaion

Citation 2

NMR studies of the structure, dynamics and substrate interaction of Kalirin GEF1 domain
Gorbatyuk, V.Y., Schiller, M.R., Hoch, J.C.

Hide non-primary 1 citaion

Related entities 1. Kalirin, : 1 : 15 : 189 entities Detail

Interaction partners 1. Kalirin, : 17 interactors Detail

More details for 17 interactors identified by 6 citations

Experiments performed 19 experiments Detail

1 3D 1H-13C NOESY