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BMRB: 18179

2LNT

Solution structure of E60A mutant AGR2

Authors

Patel, P., Clarke, C.J., Barraclough, D.L., Rudland, P.S., Barraclough, R., Lian, L.

Assembly

E60A mutant AGR2

Entity

1. E60A mutant AGR2 (polymer, Thiol state: not present), 140 monomers, 16109.36 Da Detail

IDPFTPQTLS RGWGDQLIWT QTYEAALYKS KTSNKPLMII HHLDECPHSQ ALKKVFAENK EIQKLAEQFV LLNLVYETTD KHLSPDGQYV PRIMFVDPSL TVRADITGRY SNRLYAYEPA DTALLLDNMK KALKLLKTEL

Formula weight

16109.36 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

simulated annealing, refinement

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 87.1 %, Completeness: 65.6 %, Completeness (bb): 81.4 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	65.6 % (1115 of 1700)	61.9 % (548 of 885)	67.6 % (452 of 669)	78.8 % (115 of 146)
Backbone	81.4 % (671 of 824)	80.1 % (221 of 276)	81.5 % (339 of 416)	84.1 % (111 of 132)
Sidechain	55.1 % (558 of 1012)	53.7 % (327 of 609)	58.4 % (227 of 389)	28.6 % (4 of 14)
Aromatic	13.2 % (18 of 136)	14.7 % (10 of 68)	12.1 % (8 of 66)	0.0 % (0 of 2)
Methyl	82.2 % (143 of 174)	81.6 % (71 of 87)	82.8 % (72 of 87)

1. AGR2 E60A

IDPFTPQTLS RGWGDQLIWT QTYEAALYKS KTSNKPLMII HHLDECPHSQ ALKKVFAENK EIQKLAEQFV LLNLVYETTD KHLSPDGQYV PRIMFVDPSL TVRADITGRY SNRLYAYEPA DTALLLDNMK KALKLLKTEL

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	AGR2 E60A	[U-13C; U-15N]	0.3 mM
2	H2O	natural abundance	90 %
3	D2O	natural abundance	10 %
4	MES	natural abundance	20 mM
5	NaCl	natural abundance	100 mM

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
6	AGR2 E60A	[U-15N]	0.3 mM
7	Pf1 phage	natural abundance	10 mg
8	H2O	natural abundance	90 %
9	D2O	natural abundance	10 %
10	MES	natural abundance	20 mM
11	NaCl	natural abundance	100 mM

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: 0.09 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: 0.11 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 10 models in PDB: 2LNT, Strand ID: A Detail

Release date

2013-01-06

Citation

Metastasis-promoting anterior gradient 2 protein has a dimeric thioredoxin fold structure and a role in cell adhesion
Patel, P., Clarke, C., Barraclough, D., Jowitt, T., Rudland, P., Barraclough, R., Lian, L.
J. Mol. Biol. (2013), 425, 929-943, PubMed 23274113 , DOI 10.1016/j.jmb.2012.12.009 , Abstract

Related entities 1. E60A mutant AGR2, : 1 : 4 : 33 entities Detail

Interaction partners 1. E60A mutant AGR2, : 17 interactors Detail

More details for 17 interactors identified by 9 citations

Experiments performed 13 experiments Detail

1 2D 1H-15N HSQC