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BMRB: 30450

6CZT

CS-rosetta determined structures of the N-terminal domain of AlgF from P. aeruginosa

Authors

Tammam, S., Howell, P.L.

Assembly

Alginate biosynthesis protein AlgF

Entity

1. Alginate biosynthesis protein AlgF (polymer, Thiol state: all free), 196 monomers, 20887.46 Da Detail

MEGALYGPQA PKGSAFVRAY NAGNSELDVS VGSTSLNDVA PLGSSDFKFL PPGSYTAQVG QQSLPVKLDP DSYYTLVSQP GGKPQLVAEP PFKNKQKALV RVQNLSGSKL TLKTADGKTD VVKDVGPQSH GDREINPVKV NLALFDGSKK VSDLKPVTLA RGEVVCLYVT GSGGKLAPVW VKRPVKADLE HHHHHH

Formula weight

20887.46 Da

Source organism

Pseudomonas aeruginosa PAO1

Exptl. method

solution NMR

Refine. method

molecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 99.5 %, Completeness: 93.1 %, Completeness (bb): 95.0 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	93.1 % (2064 of 2216)	93.4 % (1076 of 1152)	92.3 % (800 of 867)	95.4 % (188 of 197)
Backbone	95.0 % (1087 of 1144)	94.4 % (373 of 395)	95.4 % (543 of 569)	95.0 % (171 of 180)
Sidechain	92.0 % (1149 of 1249)	92.9 % (703 of 757)	90.3 % (429 of 475)	100.0 % (17 of 17)
Aromatic	71.0 % (98 of 138)	87.0 % (60 of 69)	54.4 % (37 of 68)	100.0 % (1 of 1)
Methyl	99.5 % (219 of 220)	99.1 % (109 of 110)	100.0 % (110 of 110)

1. P. aeruginosa AlgF

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8, Details 50 mM potassium phosphate, 2 % v/v glycerol, 10 mM DTT, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	P. aeruginosa AlgF	[U-1H; U-13C; U-15N]	protein	1 mM
2	potassium phosphate	natural abundance		50 mM
3	glycerol	natural abundance		2 % v/v
4	DTT	natural abundance		10 mM

LACS Plot; CA

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

Referencing offset: 0.07 ppm, Outliers: 5 Detail

LACS Plot; CB

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

Referencing offset: 0.07 ppm, Outliers: 5 Detail

LACS Plot; HA

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

Referencing offset: -0.05 ppm, Outliers: 1 Detail

LACS Plot; CO

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

Referencing offset: 0.79 ppm, Outliers: 3 Detail

Protein Blocks Logo

Calculated from 10 models in PDB: 6CZT, Strand ID: A Detail

Release date

2018-05-03

Citation

Pseudomonas aeruginosa AlgF is an adaptor protein required for acetylation of the alginate exopolysaccharide
Low, K.E., Tammam, S.D., Whitfield, G.B., Riley, L.M., Weadge, J.T., Caldwell, S.J., Baker, P., Chong, P.A., Walvoort, M.T.C., Kitova, E.N., Grant, T.D., Snell, E.H., Klassen, J.S., Codee, J.D.C., Howell, P.L.

Related entities 1. Alginate biosynthesis protein AlgF, : 1 : 1 : 1 : 4 entities Detail

Experiments performed 10 experiments Detail

1 2D 1H-15N HSQC