BMRBj - BMREntryMaster

Found 1 Document (1.691 seconds)

BMRB: 7103

2HJI

1H, 15N and 13C assignments of the H98S mutant of acireductone dioxygenase from Klebsiella ATCC 8724

Authors

Ju, T., Pochapsky, S.SONDEJ., Pochapsky, T.C.

Assembly

H98S ARD

Entity

1. H98S ARD (polymer, Thiol state: all free), 179 monomers, 20147.14 Da Detail

SALTIFSVKD PQNSLWHSTN AEEIQQQLNA KGVRFERWQA DRDLGAAPTA ETVIAAYQHA IDKLVAEKGY QSWDVISLRA DNPQKEALRE KFLNEHTSGE DEVRFFVEGA GLFCLHIGDE VFQVLCEKND LISVPAHTPH WFDMGSEPNF TAIRIFDNPE GWIAQFTGDD IASAYPRLA

Formula weight

20147.14 Da

Source organism

Klebsiella oxytoca

Exptl. method

NMR

Refine. method

restrained simulated annealing using torsional dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 98.9 %, Completeness: 89.4 %, Completeness (bb): 94.9 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	89.4 % (1857 of 2077)	89.4 % (958 of 1072)	88.0 % (714 of 811)	95.4 % (185 of 194)
Backbone	94.9 % (1004 of 1058)	95.0 % (342 of 360)	94.1 % (496 of 527)	97.1 % (166 of 171)
Sidechain	84.8 % (1007 of 1188)	85.1 % (606 of 712)	84.3 % (382 of 453)	82.6 % (19 of 23)
Aromatic	79.8 % (174 of 218)	81.7 % (89 of 109)	76.9 % (80 of 104)	100.0 % (5 of 5)
Methyl	94.8 % (182 of 192)	96.9 % (93 of 96)	92.7 % (89 of 96)

1. H98S mutant of ARD

SALTIFSVKD PQNSLWHSTN AEEIQQQLNA KGVRFERWQA DRDLGAAPTA ETVIAAYQHA IDKLVAEKGY QSWDVISLRA DNPQKEALRE KFLNEHTSGE DEVRFFVEGA GLFCLHIGDE VFQVLCEKND LISVPAHTPH WFDMGSEPNF TAIRIFDNPE GWIAQFTGDD IASAYPRLA

Show sample condition

Sample

Temperature 298 (±0.1) K, pH 7.4 (±0.1), Details 1 millimolar uniformly 13C, 15N labeled in pH 7.4 KPi buffer

#	Name	Isotope labeling	Concentration
1	H98S ARD	[U-13C; U-15N]	1 mM
2	KPi buffer		50 mM
3	H2O		90 %
4	D2O		10 %

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: -0.11 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: -0.11 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: -0.02 ppm, Outliers: 3 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: 0.38 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 14 models in PDB: 2HJI, Strand ID: A Detail

Release date

2006-11-13

Citation

Model for the solution structure of Fe-ARD
Ju, T., Pochapsky, S.SONDEJ., Pochapsky, T.C.

Related entities 1. H98S ARD, : 1 : 2 : 82 entities Detail

Experiments performed 11 experiments Detail

1 1H15N HSQC