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BMRB: 16118

2KDN

Solution structure of PFE0790c, a putative bolA-like protein from the protozoan parasite Plasmodium falciparum: A Structural Genomics Center for Infectious Disease (SSGCID) community request.

Authors

Buchko, G.W., Yee, A., Semesi, A., Hui, R., Arrowsmith, C.H.

Assembly

PFE0790c

Entity

1. PFE0790c (polymer, Thiol state: all free), 108 monomers, 12303.90 Da Detail

MGSSHHHHHH SSGRENLYFQ GHMCIQKVIE DKLSSALKPT FLELVDKSCG CGTSFDAVIV SNNFEDKKLL DRHRLVNTIL KEELQNIHAF SMKCHTPLEY DKLKSKGS

Formula weight

12303.9 Da

Source organism

Plasmodium falciparum 3D7

Exptl. method

solution NMR

Refine. method

torsion angle dynamics, molecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 88.0 %, Completeness: 80.0 %, Completeness (bb): 83.7 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	80.0 % (1019 of 1273)	78.8 % (523 of 664)	80.4 % (398 of 495)	86.0 % (98 of 114)
Backbone	83.7 % (539 of 644)	83.6 % (184 of 220)	83.3 % (265 of 318)	84.9 % (90 of 106)
Sidechain	78.1 % (571 of 731)	76.4 % (339 of 444)	80.3 % (224 of 279)	100.0 % (8 of 8)
Aromatic	47.2 % (50 of 106)	47.2 % (25 of 53)	47.2 % (25 of 53)
Methyl	98.0 % (100 of 102)	98.0 % (50 of 51)	98.0 % (50 of 51)

1. PFE0790c

MGSSHHHHHH SSGRENLYFQ GHMCIQKVIE DKLSSALKPT FLELVDKSCG CGTSFDAVIV SNNFEDKKLL DRHRLVNTIL KEELQNIHAF SMKCHTPLEY DKLKSKGS

Show sample condition

Sample #1

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	entity	[U-99% 13C; U-99% 15N]	1.5 (±0.5) mM
2	sodium phosphate	natural abundance	10 (±1.0) mM
3	sodium chloride	natural abundance	200 (±5.0) mM
4	DTT	natural abundance	10 (±1.0) mM
5	sodium azide	natural abundance	0.01 (±0.002) %
6	benzamidine	natural abundance	1 (±0.01) mM
7	H2O	natural abundance	93 %
8	D2O	natural abundance	7 %

Sample #2

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5

#	Name	Isotope labeling	Concentration
9	entity	[U-7% 13C; U-99% 15N]	1.5 (±0.5) mM
10	sodium phosphate	natural abundance	10 (±1.0) mM
11	sodium chloride	natural abundance	200 (±5.0) mM
12	DTT	natural abundance	10 (±1.0) mM
13	sodium azide	natural abundance	0.01 (±0.002) %
14	benzamidine	natural abundance	1 (±0.01) mM
15	H2O	natural abundance	93 %
16	D2O	natural abundance	7 %

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: -0.12 ppm, Outliers: 4 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: -0.12 ppm, Outliers: 4 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: -0.05 ppm, Outliers: 1 Detail

LACS Plot; CO

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

Referencing offset: 0.32 ppm, Outliers: 1 Detail

Protein Blocks Logo

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

Release date

2009-03-04

Citation

Structural characterization of PFE0790c, a putative bolA-like protein from Plasmodium falciparum, the protozoan parasite responsible for malaria
Buchko, G.W., Yee, A., Semesi, A., Arrowsmith, C.H., Hui, R.
Not known

Related entities 1. PFE0790c, : 1 : 4 entities Detail

Experiments performed 12 experiments Detail

1 3D HNCO