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BMRB: 16384

2KL5

Solution NMR Structure of protein yutD from B.subtilis, Northeast Structural Genomics Consortium Target Target SR232

Authors

Liu, G., Hamilton, H., Xiao, R., Ciccosanti, C., Ho, K.J., Everett, J., Nair, R., Acton, T., Rost, B., Montelione, G.T.

Assembly

SR232

Entity

1. SR232 (polymer, Thiol state: all disulfide bound), 110 monomers, 13219.80 Da Detail

MIGMSEKRGE IMILIQNAEF ELVHNFKDGF NEEAFKARYS DILNKYDYIV GDWGYGQLRL KGFFDDQNQK ATFETKISTL DEYIYEYCNF GCAYFVLKRI RKLEHHHHHH

Formula weight

13219.8 Da

Entity Connection

disulfide 1 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS88:SG	1:CYS92:SG

Source organism

Bacillus subtilis

Exptl. method

solution NMR

Refine. method

distance geometry, simulated annealing, molecular dynamics, null

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 85.5 %, Completeness: 74.8 %, Completeness (bb): 75.5 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	74.8 % (1025 of 1370)	76.2 % (544 of 714)	75.3 % (403 of 535)	64.5 % (78 of 121)
Backbone	75.5 % (498 of 660)	74.1 % (169 of 228)	79.2 % (255 of 322)	67.3 % (74 of 110)
Sidechain	75.1 % (610 of 812)	77.2 % (375 of 486)	73.3 % (231 of 315)	36.4 % (4 of 11)
Aromatic	69.1 % (134 of 194)	85.6 % (83 of 97)	52.1 % (50 of 96)	100.0 % (1 of 1)
Methyl	96.9 % (93 of 96)	95.8 % (46 of 48)	97.9 % (47 of 48)

1. SR232

MIGMSEKRGE IMILIQNAEF ELVHNFKDGF NEEAFKARYS DILNKYDYIV GDWGYGQLRL KGFFDDQNQK ATFETKISTL DEYIYEYCNF GCAYFVLKRI RKLEHHHHHH

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	SR232	[U-100% 13C; U-100% 15N]	1.1 mM
2	DTT	natural abundance	10 mM
3	Arginine	natural abundance	50 mM
4	Bis-Tris pH 6.5	natural abundance	50 mM
5	DSS	natural abundance	50 uM
6	NaN3	natural abundance	0.02 %
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	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

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: 0.38 ppm, Outliers: 1 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: 0.64 ppm, Outliers: 3 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2KL5, Strand ID: A Detail

Release date

2009-07-06

Related entities 1. SR232, : 1 : 1 : 3 entities Detail

Experiments performed 8 experiments Detail

1 2D 1H-15N HSQC