BMRBj - BMREntryMaster

Found 1 Document (0.914 seconds)

BMRB: 17005

2KZH

Three-dimensional structure of a truncated phosphoribosylanthranilate isomerase (residues 255-384) from Escherichia coli

Authors

Setiyaputra, S., Mackay, J.P., Patrick, W.M.

Assembly

trPRAI

Entity

1. trPRAI (polymer, Thiol state: all free), 134 monomers, 14293.01 Da Detail

MGENKVCGLT RGQDAKAAYD AGAIYGGLIF VATSPRCVNV EQAQEVMAAA PLQYVGVFRN HDIADVVDKA KVLSLAAVQL HGNEEQLYID TLREALPAHV AIWKALSVGE TLPAREFQHV DKYVLDNGQG GAGS

Formula weight

14293.01 Da

Source organism

Escherichia coli

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts, coupling_constants

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 89.8 %, Completeness (bb): 98.4 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	89.8 % (1327 of 1477)	90.1 % (680 of 755)	88.1 % (509 of 578)	95.8 % (138 of 144)
Backbone	98.4 % (783 of 796)	97.5 % (270 of 277)	99.5 % (387 of 389)	96.9 % (126 of 130)
Sidechain	82.8 % (664 of 802)	85.8 % (410 of 478)	78.1 % (242 of 310)	85.7 % (12 of 14)
Aromatic	40.8 % (40 of 98)	77.6 % (38 of 49)	2.1 % (1 of 48)	100.0 % (1 of 1)
Methyl	94.3 % (166 of 176)	95.5 % (84 of 88)	93.2 % (82 of 88)

1. trPRAI

MGENKVCGLT RGQDAKAAYD AGAIYGGLIF VATSPRCVNV EQAQEVMAAA PLQYVGVFRN HDIADVVDKA KVLSLAAVQL HGNEEQLYID TLREALPAHV AIWKALSVGE TLPAREFQHV DKYVLDNGQG GAGS

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
1	trPRAI	natural abundance	0.8 mM
2	HEPES	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	DTT	natural abundance	1 mM
5	DSS	natural abundance	0.1 mM
6	H2O	natural abundance	95 %
7	D2O	natural abundance	5 %

Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
8	trPRAI	[U-99% 15N]	0.6 ~ 1.0 mM
9	HEPES	natural abundance	20 mM
10	sodium chloride	natural abundance	100 mM
11	DTT	natural abundance	1 mM
12	DSS	natural abundance	0.1 mM
13	H2O	natural abundance	95 %
14	D2O	natural abundance	5 %

Sample #3

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
15	trPRAI	[U-98% 13C; U-98% 15N]	0.6 ~ 0.8 mM
16	HEPES	natural abundance	20 mM
17	sodium chloride	natural abundance	100 mM
18	DTT	natural abundance	1 mM
19	DSS	natural abundance	0.1 mM
20	H2O	natural abundance	95 %
21	D2O	natural abundance	5 %

Sample #4

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
22	trPRAI	[U-98% 13C; U-98% 15N]	0.7 mM
23	HEPES	natural abundance	20 mM
24	sodium chloride	natural abundance	100 mM
25	DTT	natural abundance	1 mM
26	DSS	natural abundance	0.1 mM
27	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: 1 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: 1 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: 0.01 ppm, Outliers: 5 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: 0.07 ppm, Outliers: 3 Detail

Protein Blocks Logo

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

Coupling constant

74 J values in 1 lists
Field strength (¹H) 800 MHz, Pressure 1 atm, Temperature 298 K, pH 7.0 Detail

Release date

2011-05-30

Citation 1

In vitro selection and characterization of a stable subdomain of phosphoribosylanthranilate isomerase
Wayne, P.M., Jonathan, B.M.
FEBS J. (2005), 272, 3684-3697, PubMed 16008567 , DOI 10.1111/j.1742-4658.2005.04794.x , Abstract

Show more 1 citaion

Citation 2

The structure of a truncated phosphoribosylanthranilate isomerase suggests a unified model for evolution of the (βα)8 barrel fold
Setiyaputra, S., Mackay, J.P., Patrick, W.M.
J. Mol. Biol. (2011), 408, 291-303, PubMed 21354426 , DOI 10.1016/j.jmb.2011.02.048 , Abstract

Hide non-primary 1 citaion

Related entities 1. trPRAI, : 1 : 74 entities Detail

Interaction partners 1. trPRAI, : 6 interactors Detail

More details for 6 interactors identified by 2 citations

Experiments performed 18 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
8	trPRAI	[U-99% 15N]	0.6 ~ 1.0 mM
9	HEPES	natural abundance	20 mM
10	sodium chloride	natural abundance	100 mM
11	DTT	natural abundance	1 mM
12	DSS	natural abundance	0.1 mM
13	H2O	natural abundance	95 %
14	D2O	natural abundance	5 %

2 2D 1H-13C HSQC

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
22	trPRAI	[U-98% 13C; U-98% 15N]	0.7 mM
23	HEPES	natural abundance	20 mM
24	sodium chloride	natural abundance	100 mM
25	DTT	natural abundance	1 mM
26	DSS	natural abundance	0.1 mM
27	D2O	natural abundance	100 %

3 3D CBCA(CO)NH

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
15	trPRAI	[U-98% 13C; U-98% 15N]	0.6 ~ 0.8 mM
16	HEPES	natural abundance	20 mM
17	sodium chloride	natural abundance	100 mM
18	DTT	natural abundance	1 mM
19	DSS	natural abundance	0.1 mM
20	H2O	natural abundance	95 %
21	D2O	natural abundance	5 %

4 3D HNCACB

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
15	trPRAI	[U-98% 13C; U-98% 15N]	0.6 ~ 0.8 mM
16	HEPES	natural abundance	20 mM
17	sodium chloride	natural abundance	100 mM
18	DTT	natural abundance	1 mM
19	DSS	natural abundance	0.1 mM
20	H2O	natural abundance	95 %
21	D2O	natural abundance	5 %

5 3D HNCO

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
15	trPRAI	[U-98% 13C; U-98% 15N]	0.6 ~ 0.8 mM
16	HEPES	natural abundance	20 mM
17	sodium chloride	natural abundance	100 mM
18	DTT	natural abundance	1 mM
19	DSS	natural abundance	0.1 mM
20	H2O	natural abundance	95 %
21	D2O	natural abundance	5 %

6 2D 1H-1H NOESY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
15	trPRAI	[U-98% 13C; U-98% 15N]	0.6 ~ 0.8 mM
16	HEPES	natural abundance	20 mM
17	sodium chloride	natural abundance	100 mM
18	DTT	natural abundance	1 mM
19	DSS	natural abundance	0.1 mM
20	H2O	natural abundance	95 %
21	D2O	natural abundance	5 %

7 3D HBHA(CO)NH

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
15	trPRAI	[U-98% 13C; U-98% 15N]	0.6 ~ 0.8 mM
16	HEPES	natural abundance	20 mM
17	sodium chloride	natural abundance	100 mM
18	DTT	natural abundance	1 mM
19	DSS	natural abundance	0.1 mM
20	H2O	natural abundance	95 %
21	D2O	natural abundance	5 %

8 3D H(CCO)NH

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
15	trPRAI	[U-98% 13C; U-98% 15N]	0.6 ~ 0.8 mM
16	HEPES	natural abundance	20 mM
17	sodium chloride	natural abundance	100 mM
18	DTT	natural abundance	1 mM
19	DSS	natural abundance	0.1 mM
20	H2O	natural abundance	95 %
21	D2O	natural abundance	5 %

9 3D C(CO)NH

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
15	trPRAI	[U-98% 13C; U-98% 15N]	0.6 ~ 0.8 mM
16	HEPES	natural abundance	20 mM
17	sodium chloride	natural abundance	100 mM
18	DTT	natural abundance	1 mM
19	DSS	natural abundance	0.1 mM
20	H2O	natural abundance	95 %
21	D2O	natural abundance	5 %

10 3D HCCH-TOCSY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
22	trPRAI	[U-98% 13C; U-98% 15N]	0.7 mM
23	HEPES	natural abundance	20 mM
24	sodium chloride	natural abundance	100 mM
25	DTT	natural abundance	1 mM
26	DSS	natural abundance	0.1 mM
27	D2O	natural abundance	100 %

11 3D HCCH-COSY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
22	trPRAI	[U-98% 13C; U-98% 15N]	0.7 mM
23	HEPES	natural abundance	20 mM
24	sodium chloride	natural abundance	100 mM
25	DTT	natural abundance	1 mM
26	DSS	natural abundance	0.1 mM
27	D2O	natural abundance	100 %

12 3D 1H-15N NOESY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
15	trPRAI	[U-98% 13C; U-98% 15N]	0.6 ~ 0.8 mM
16	HEPES	natural abundance	20 mM
17	sodium chloride	natural abundance	100 mM
18	DTT	natural abundance	1 mM
19	DSS	natural abundance	0.1 mM
20	H2O	natural abundance	95 %
21	D2O	natural abundance	5 %

13 3D 1H-13C NOESY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
22	trPRAI	[U-98% 13C; U-98% 15N]	0.7 mM
23	HEPES	natural abundance	20 mM
24	sodium chloride	natural abundance	100 mM
25	DTT	natural abundance	1 mM
26	DSS	natural abundance	0.1 mM
27	D2O	natural abundance	100 %

14 3D 1H-13C NOESY AROMATIC

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
22	trPRAI	[U-98% 13C; U-98% 15N]	0.7 mM
23	HEPES	natural abundance	20 mM
24	sodium chloride	natural abundance	100 mM
25	DTT	natural abundance	1 mM
26	DSS	natural abundance	0.1 mM
27	D2O	natural abundance	100 %

15 2D 1H-1H NOESY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
1	trPRAI	natural abundance	0.8 mM
2	HEPES	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	DTT	natural abundance	1 mM
5	DSS	natural abundance	0.1 mM
6	H2O	natural abundance	95 %
7	D2O	natural abundance	5 %

16 3D HNHA

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
15	trPRAI	[U-98% 13C; U-98% 15N]	0.6 ~ 0.8 mM
16	HEPES	natural abundance	20 mM
17	sodium chloride	natural abundance	100 mM
18	DTT	natural abundance	1 mM
19	DSS	natural abundance	0.1 mM
20	H2O	natural abundance	95 %
21	D2O	natural abundance	5 %

17 3D 1H-15N TOCSY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
8	trPRAI	[U-99% 15N]	0.6 ~ 1.0 mM
9	HEPES	natural abundance	20 mM
10	sodium chloride	natural abundance	100 mM
11	DTT	natural abundance	1 mM
12	DSS	natural abundance	0.1 mM
13	H2O	natural abundance	95 %
14	D2O	natural abundance	5 %

18 3D HN(CA)CO

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
15	trPRAI	[U-98% 13C; U-98% 15N]	0.6 ~ 0.8 mM
16	HEPES	natural abundance	20 mM
17	sodium chloride	natural abundance	100 mM
18	DTT	natural abundance	1 mM
19	DSS	natural abundance	0.1 mM
20	H2O	natural abundance	95 %
21	D2O	natural abundance	5 %

nullKeywords PROTEIN ENGINEERING, TIM-BARREL, TIM-BARREL EVOLUTION, TRYPTOPHAN BIOSYNTHESIS

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Found 1 Document (0.914 seconds)

BMRB: 17005

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Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. trPRAI, : 1 : 74 entities Detail

Interaction partners 1. trPRAI, : 6 interactors Detail

Experiments performed 18 experiments Detail

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