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BMRB: 16476

2KNR

Solution structure of protein Atu0922 from A. tumefaciens. Northeast Structural Genomics Consortium target AtT13. Ontario Center for Structural Proteomics target ATC0905.

Authors

Gutmanas, A., Yee, A., Lemak, A., Fares, C., Semesi, A., Arrowsmith, C.H.

Assembly

ATC0905

Entity

1. ATC0905 (polymer, Thiol state: not present), 121 monomers, 13580.17 Da Detail

QGHMRLKSEM FVSALIRRVF AAGGFAAVEK KGAEAAGAIF VRQRLRDGRE NLYGPAPQSF ADDEDIMRAE RRFETRLAGV EGEEIAALLE RERRFDSDLW VVEIETDEIG TLLTLVDQPQ A

Formula weight

13580.17 Da

Source organism

Agrobacterium tumefaciens

Exptl. method

solution NMR

Refine. method

molecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 97.5 %, Completeness: 95.2 %, Completeness (bb): 96.7 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	95.2 % (1320 of 1386)	94.7 % (684 of 722)	95.7 % (516 of 539)	96.0 % (120 of 125)
Backbone	96.7 % (696 of 720)	96.8 % (241 of 249)	96.6 % (341 of 353)	96.6 % (114 of 118)
Sidechain	94.3 % (733 of 777)	93.7 % (443 of 473)	95.6 % (284 of 297)	85.7 % (6 of 7)
Aromatic	78.7 % (74 of 94)	78.7 % (37 of 47)	78.3 % (36 of 46)	100.0 % (1 of 1)
Methyl	100.0 % (140 of 140)	100.0 % (70 of 70)	100.0 % (70 of 70)

1. ATC0905

QGHMRLKSEM FVSALIRRVF AAGGFAAVEK KGAEAAGAIF VRQRLRDGRE NLYGPAPQSF ADDEDIMRAE RRFETRLAGV EGEEIAALLE RERRFDSDLW VVEIETDEIG TLLTLVDQPQ A

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 1 mM [U-100% 13C; U-100% 15N], 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	ATC0905	[U-100% 13C; U-100% 15N]	1 mM
2	TRIS	[U-100% 2H]	10 mM
3	sodium chloride	natural abundance	300 mM
4	DTT	natural abundance	10 mM
5	benzamidine	natural abundance	1 uM
6	Roche inhibitor coctail	natural abundance	1 na
7	D2O	natural abundance	10 %
8	H2O	natural abundance	90 %

LACS Plot; CA

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

Referencing offset: -0.01 ppm, Outliers: 2 Detail

LACS Plot; CB

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

Referencing offset: -0.01 ppm, Outliers: 2 Detail

LACS Plot; HA

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

Referencing offset: 0.06 ppm, Outliers: 1 Detail

LACS Plot; CO

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

Referencing offset: 0.14 ppm, Outliers: 3 Detail

Protein Blocks Logo

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

Release date

2009-11-03

Related entities 1. ATC0905, : 1 : 5 entities Detail

Experiments performed 15 experiments Detail

1 2D 1H-15N HSQC