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BMRB: 18673

2LXF

Solution NMR structure of a potential acylphosphatase from Giardia lamblia, Seattle Structural Genomics Center for Infectious Disease target GilaA.01396.a

Authors

Buchko, G.W.

Assembly

potential acylphosphatase from Giardia lamblia

Entity

1. potential acylphosphatase from Giardia lamblia (polymer, Thiol state: all free), 121 monomers, 13198.70 Da Detail

MAHHHHHHMG TLEAQTQGPG SMQGSMPSSS EDVTTLCYRV TGKVQGVFFR KYTKKEADAL SLVGYVTNNE DGSVSGVVQG PKEQVDAFVK YLHKGSPKSV VKKVSIHASS RVDADGFEIR R

Formula weight

13198.7 Da

Source organism

Giardia lamblia ATCC 50803

Exptl. method

solution NMR

Refine. method

DGSA-distance geometry simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 92.6 %, Completeness: 74.8 %, Completeness (bb): 79.4 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	74.8 % (1014 of 1356)	71.8 % (504 of 702)	77.5 % (410 of 529)	80.0 % (100 of 125)
Backbone	79.4 % (570 of 718)	76.0 % (190 of 250)	81.2 % (285 of 351)	81.2 % (95 of 117)
Sidechain	71.5 % (534 of 747)	68.8 % (311 of 452)	76.0 % (218 of 287)	62.5 % (5 of 8)
Aromatic	66.3 % (69 of 104)	71.2 % (37 of 52)	61.5 % (32 of 52)
Methyl	86.2 % (100 of 116)	84.5 % (49 of 58)	87.9 % (51 of 58)

1. entity

MAHHHHHHMG TLEAQTQGPG SMQGSMPSSS EDVTTLCYRV TGKVQGVFFR KYTKKEADAL SLVGYVTNNE DGSVSGVVQG PKEQVDAFVK YLHKGSPKSV VKKVSIHASS RVDADGFEIR R

Show sample condition

Sample #1

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 293 (±0.5) K, pH 7 (±0.2)

#	Name	Isotope labeling	Concentration
1	GilaA	[U-99% 13C; U-99% 15N]	1.5 (±0.2) mM
2	sodium chloride	natural abundance	100 (±2.0) mM
3	TRIS	natural abundance	20 (±0.5) mM
4	DTT	natural abundance	1 (±0.1) mM
5	H2O	natural abundance	93 %
6	D2O	natural abundance	7 %

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 293 (±0.5) K, pH 7 (±0.2)

#	Name	Isotope labeling	Concentration
7	GilaA	[U-99% 13C; U-99% 15N]	1.5 (±0.2) mM
8	sodium chloride	natural abundance	100 (±2.0) mM
9	TRIS	natural abundance	20 (±0.5) mM
10	DTT	natural abundance	1 (±0.1) mM
11	D2O	natural abundance	100 %

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: -0.06 ppm, Outliers: 2 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: -0.06 ppm, Outliers: 2 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: -0.09 ppm, Outliers: 2 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: 0.24 ppm, Outliers: 1 Detail

Protein Blocks Logo

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

Release date

2012-09-24

Citation

Solution structure of an acylphosphatase from Giardia lamblia, the etiological agent responsible for giardiasis
Buchko, G.W., Hewitt, S.N., Napuli, A.J., Van Voorhis, W.C., Myler, P.J.
Not known

Related entities 1. potential acylphosphatase from Giardia lamblia, : 1 : 6 entities Detail

Experiments performed 11 experiments Detail

1 2D 1H-15N HSQC