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BMRB: 27313

6CRL

HusA from porphyromonas gingivalis

Authors

Gell, D.A., Kwan, A.H.

Assembly

HusA monomer

Entity

1. HusA monomer (polymer, Thiol state: all free), 201 monomers, 21727.33 × 2 Da Detail

MGQGTAYAEV MNRKVAALDS VPPTEYATLA ADFSRIAAVE GSDWMAAYYT AYCRIIPAFG NPSEADRLCE EAESMLSKAE SLGGDLSEIA CLRSMAASAR LLVNPQERWQ TYGAESSRQL AVALEANPAN PRAYFLQAQS LLYTPAQFGG GKDKALPFAE KSVSCYAAAT VSPAYAPHWG EQQARQLLML CKAETQELVP R

Total weight

43454.66 Da

Max. entity weight

21727.33 Da

Source organism

Porphyromonas gingivalis

Exptl. method

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 99.0 %, Completeness: 88.3 %, Completeness (bb): 83.9 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	88.3 % (1970 of 2230)	96.1 % (1105 of 1150)	76.3 % (665 of 872)	96.2 % (200 of 208)
Backbone	83.9 % (992 of 1182)	96.5 % (387 of 401)	71.5 % (423 of 592)	96.3 % (182 of 189)
Sidechain	93.9 % (1163 of 1238)	95.9 % (718 of 749)	90.9 % (427 of 470)	94.7 % (18 of 19)
Aromatic	80.6 % (137 of 170)	98.8 % (84 of 85)	61.0 % (50 of 82)	100.0 % (3 of 3)
Methyl	98.6 % (215 of 218)	98.2 % (107 of 109)	99.1 % (108 of 109)

1. HusA

MGQGTAYAEV MNRKVAALDS VPPTEYATLA ADFSRIAAVE GSDWMAAYYT AYCRIIPAFG NPSEADRLCE EAESMLSKAE SLGGDLSEIA CLRSMAASAR LLVNPQERWQ TYGAESSRQL AVALEANPAN PRAYFLQAQS LLYTPAQFGG GKDKALPFAE KSVSCYAAAT VSPAYAPHWG EQQARQLLML CKAETQELVP R

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 308 K, pH 6.9

#	Name	Isotope labeling	Type	Concentration
1	HusA	[U-13C; U-15N]		0.9 mM
2	sodium phosphate	natural abundance		10 mM
3	DSS	natural abundance		20 uM

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 308 K, pH 6.9

#	Name	Isotope labeling	Type	Concentration
4	HusA	[U-13C; U-15N]		0.9 mM
5	sodium phosphate	natural abundance		10 mM
6	DSS	natural abundance		20 uM

Sample #3

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 308 K, pH 6.9

#	Name	Isotope labeling	Type	Concentration
7	HusA	natural abundance		0.9 mM
8	sodium phosphate	natural abundance		10 mM
9	DSS	natural abundance		20 uM

Sample #4

Solvent system 100% D2O, Pressure 1 atm, Temperature 308 K, pH 6.9

#	Name	Isotope labeling	Type	Concentration
10	HusA	natural abundance		0.9 mM
11	sodium phosphate	natural abundance		10 mM
12	DSS	natural abundance		20 uM

Protein Blocks Logo

Calculated from 21 models in PDB: 6CRL, Strand ID: A Detail

Release date

2017-11-14

Citation

Structural properties of a haemophore facilitate targeted elimination of the pathogen Porphyromonas gingivalis
Gao, J.L., Kwan, A.H., Yammine, A., Zhou, X., Trewhella, J., Hugrass, B.M., Collins, D., Horne, J., Ye, P., Harty, D., Nguyen, K.A., Gell, D.A., Hunter, N.
Nat. Commun. (2018), 9, 4097-4097, PubMed 30291238 , DOI 10.1038/s41467-018-06470-0 , Abstract

Related entities 1. HusA monomer, : 1 : 1 entities Detail

Experiments performed 20 experiments Detail

1 3D HNCA

Instrument

Bruker Avance - 600 MHz University of Sydney

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.9

#	Name	Isotope labeling	Type	Concentration
1	HusA	[U-13C; U-15N]		0.9 mM
2	sodium phosphate	natural abundance		10 mM
3	DSS	natural abundance		20 uM

2 3D HNCACB

Instrument

Bruker Avance - 600 MHz University of Sydney

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.9

#	Name	Isotope labeling	Type	Concentration
1	HusA	[U-13C; U-15N]		0.9 mM
2	sodium phosphate	natural abundance		10 mM
3	DSS	natural abundance		20 uM

3 3D CBCA(CO)NH

Instrument

Bruker Avance - 600 MHz University of Sydney

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.9

#	Name	Isotope labeling	Type	Concentration
1	HusA	[U-13C; U-15N]		0.9 mM
2	sodium phosphate	natural abundance		10 mM
3	DSS	natural abundance		20 uM

4 3D HNCO

Instrument

Bruker Avance - 600 MHz University of Sydney

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.9

#	Name	Isotope labeling	Type	Concentration
1	HusA	[U-13C; U-15N]		0.9 mM
2	sodium phosphate	natural abundance		10 mM
3	DSS	natural abundance		20 uM

5 3D HBHA(CO)NH

Instrument

Bruker Avance - 600 MHz University of Sydney

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.9

#	Name	Isotope labeling	Type	Concentration
1	HusA	[U-13C; U-15N]		0.9 mM
2	sodium phosphate	natural abundance		10 mM
3	DSS	natural abundance		20 uM

6 3D H(CCO)NH

Instrument

Bruker Avance - 600 MHz University of Sydney

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.9

#	Name	Isotope labeling	Type	Concentration
1	HusA	[U-13C; U-15N]		0.9 mM
2	sodium phosphate	natural abundance		10 mM
3	DSS	natural abundance		20 uM

7 3D C(CO)NH

Instrument

Bruker Avance - 600 MHz University of Sydney

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.9

#	Name	Isotope labeling	Type	Concentration
1	HusA	[U-13C; U-15N]		0.9 mM
2	sodium phosphate	natural abundance		10 mM
3	DSS	natural abundance		20 uM

8 3D HBCBCGCDHD

Instrument

Bruker Avance - 600 MHz University of Sydney

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.9

#	Name	Isotope labeling	Type	Concentration
1	HusA	[U-13C; U-15N]		0.9 mM
2	sodium phosphate	natural abundance		10 mM
3	DSS	natural abundance		20 uM

9 3D HBCBCGCDHDCEHE

Instrument

Bruker Avance - 600 MHz University of Sydney

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.9

#	Name	Isotope labeling	Type	Concentration
1	HusA	[U-13C; U-15N]		0.9 mM
2	sodium phosphate	natural abundance		10 mM
3	DSS	natural abundance		20 uM

10 2D 1H-1H TOCSY

Instrument

Bruker Avance - 600 MHz University of Sydney

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 308 K, pH 6.9

#	Name	Isotope labeling	Type	Concentration
10	HusA	natural abundance		0.9 mM
11	sodium phosphate	natural abundance		10 mM
12	DSS	natural abundance		20 uM

11 2D 1H-1H COSY

Instrument

Bruker Avance - 600 MHz University of Sydney

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 308 K, pH 6.9

#	Name	Isotope labeling	Type	Concentration
10	HusA	natural abundance		0.9 mM
11	sodium phosphate	natural abundance		10 mM
12	DSS	natural abundance		20 uM

12 2D 1H-1H NOESY

Instrument

Bruker Avance - 600 MHz University of Sydney

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 308 K, pH 6.9

#	Name	Isotope labeling	Type	Concentration
10	HusA	natural abundance		0.9 mM
11	sodium phosphate	natural abundance		10 mM
12	DSS	natural abundance		20 uM

13 2D 1H-1H NOESY

Instrument

Bruker Avance - 600 MHz University of Sydney

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 308 K, pH 6.9

#	Name	Isotope labeling	Type	Concentration
7	HusA	natural abundance		0.9 mM
8	sodium phosphate	natural abundance		10 mM
9	DSS	natural abundance		20 uM

14 3D HCCH-TOCSY

Instrument

Bruker Avance - 600 MHz University of Sydney

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 308 K, pH 6.9

#	Name	Isotope labeling	Type	Concentration
4	HusA	[U-13C; U-15N]		0.9 mM
5	sodium phosphate	natural abundance		10 mM
6	DSS	natural abundance		20 uM

15 3D CCH-TOCSY

Instrument

Bruker Avance - 600 MHz University of Sydney

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 308 K, pH 6.9

#	Name	Isotope labeling	Type	Concentration
4	HusA	[U-13C; U-15N]		0.9 mM
5	sodium phosphate	natural abundance		10 mM
6	DSS	natural abundance		20 uM

16 3D 1H-15N NOESY

Instrument

Bruker Avance - 600 MHz University of Sydney

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 308 K, pH 6.9

#	Name	Isotope labeling	Type	Concentration
1	HusA	[U-13C; U-15N]		0.9 mM
2	sodium phosphate	natural abundance		10 mM
3	DSS	natural abundance		20 uM

17 3D 1H-13C NOESY aliphatic

Instrument

Bruker Avance - 600 MHz University of Sydney

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 308 K, pH 6.9

#	Name	Isotope labeling	Type	Concentration
1	HusA	[U-13C; U-15N]		0.9 mM
2	sodium phosphate	natural abundance		10 mM
3	DSS	natural abundance		20 uM

18 3D 1H-13C NOESY aliphatic

Instrument

Bruker Avance - 600 MHz University of Sydney

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 308 K, pH 6.9

#	Name	Isotope labeling	Type	Concentration
4	HusA	[U-13C; U-15N]		0.9 mM
5	sodium phosphate	natural abundance		10 mM
6	DSS	natural abundance		20 uM

19 3D 1H-13C NOESY aromatic

Instrument

Bruker Avance - 600 MHz University of Sydney

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 308 K, pH 6.9

#	Name	Isotope labeling	Type	Concentration
1	HusA	[U-13C; U-15N]		0.9 mM
2	sodium phosphate	natural abundance		10 mM
3	DSS	natural abundance		20 uM

20 3D 1H-13C NOESY aromatic

Instrument

Bruker Avance - 600 MHz University of Sydney

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 308 K, pH 6.9

#	Name	Isotope labeling	Type	Concentration
4	HusA	[U-13C; U-15N]		0.9 mM
5	sodium phosphate	natural abundance		10 mM
6	DSS	natural abundance		20 uM

nullKeywords haem, haemophore