BMRB: 19850

NMR-based docking model of GrxS14-BolA2 apo-heterodimer from Arabidopsis thaliana

Authors

RORET, T., TSAN, P., COUTURIER, J., ROUHIER, N., DIDIERJEAN, C.

Assembly

GrxS14-BolA2 apo-heterodimer from Arabidopsis thaliana

Entity

1. GrxS14 (polymer), 109 monomers, 12344.06 Da Detail

SALTPQLKDT LEKLVNSEKV VLFMKGTRDF PMCGFSNTVV QILKNLNVPF EDVNILENEM LRQGLKEYSN WPTFPQLYIG GEFFGGCDIT LEAFKTGELQ EEVEKAMCS

2. BolA2 (polymer), 80 monomers, 9028.256 Da Detail

VTKEQVEASL TSKLKPIHLE VIDISGGCGS SFEVEVVSEQ FEGKRLLERH RMVNAALEEE MKEIHALSIK KAQTPQQWKP

Total weight

21372.316 Da

Max. entity weight

12344.06 Da

Source organism

Arabidopsis thaliana

Exptl. method

solution NMR

Refine. method

molecular dynamics, energy minimization

Data set

assigned_chemical_shifts

Chem. Shift Complete1

Sequence coverage: 57.1 %, Completeness: 19.5 %, Completeness (bb): 40.0 % Detail

Download

• NMR-STAR v3.1 (partial)
• BMRB/XML (partial)
• CSV
• TSV

Polymer type: polypeptide(L)

	Total	1H	15N
All	19.5 % (270 of 1382)	13.7 % (162 of 1181)	53.7 % (108 of 201)
Backbone	40.0 % (225 of 563)	30.6 % (117 of 382)	59.7 % (108 of 181)
Sidechain	5.5 % (45 of 819)	5.6 % (45 of 799)	0.0 % (0 of 20)
Aromatic	5.1 % (4 of 78)	5.3 % (4 of 76)	0.0 % (0 of 2)
Methyl	5.7 % (6 of 106)	5.7 % (6 of 106)

1. GrxS14

SALTPQLKDT LEKLVNSEKV VLFMKGTRDF PMCGFSNTVV QILKNLNVPF EDVNILENEM LRQGLKEYSN WPTFPQLYIG GEFFGGCDIT LEAFKTGELQ EEVEKAMCS

2. BolA2

VTKEQVEASL TSKLKPIHLE VIDISGGCGS SFEVEVVSEQ FEGKRLLERH RMVNAALEEE MKEIHALSIK KAQTPQQWKP

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Type	Concentration
13	GrxS14	[U-100% 15N]		0.12 mM
14	phosphate buffer	natural abundance		50 mM
15	azide	natural abundance		0.02 %
16	H2O	natural abundance		90 %
17	D2O	natural abundance		10 %

Hide sample codition

Chem. Shift Complete2

Sequence coverage: 59.8 %, Completeness: 19.6 %, Completeness (bb): 41.0 % Detail

Download

• NMR-STAR v3.1 (partial)
• BMRB/XML (partial)
• CSV
• TSV

Polymer type: polypeptide(L)

	Total	1H	15N
All	19.6 % (543 of 2764)	13.7 % (323 of 2362)	54.7 % (220 of 402)
Backbone	41.0 % (462 of 1126)	31.7 % (242 of 764)	60.8 % (220 of 362)
Sidechain	4.9 % (81 of 1638)	5.1 % (81 of 1598)	0.0 % (0 of 40)
Aromatic	5.1 % (8 of 156)	5.3 % (8 of 152)	0.0 % (0 of 4)
Methyl	7.5 % (16 of 212)	7.5 % (16 of 212)

1. GrxS14

SALTPQLKDT LEKLVNSEKV VLFMKGTRDF PMCGFSNTVV QILKNLNVPF EDVNILENEM LRQGLKEYSN WPTFPQLYIG GEFFGGCDIT LEAFKTGELQ EEVEKAMCS

2. BolA2

VTKEQVEASL TSKLKPIHLE VIDISGGCGS SFEVEVVSEQ FEGKRLLERH RMVNAALEEE MKEIHALSIK KAQTPQQWKP

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Type	Concentration
7	GrxS14	[U-100% 15N]		0.12 mM
8	BolA2	natural abundance		0.012 ~ 0.24 mM
9	phosphate buffer	natural abundance		50 mM
10	azide	natural abundance		0.02 %
11	H2O	natural abundance		90 %
12	D2O	natural abundance		10 %

Hide sample codition

Chem. Shift Complete3

Sequence coverage: 55.0 %, Completeness: 20.2 %, Completeness (bb): 40.3 % Detail

Download

• NMR-STAR v3.1 (partial)
• BMRB/XML (partial)
• CSV
• TSV

Polymer type: polypeptide(L)

	Total	1H	15N
All	20.2 % (837 of 4146)	14.6 % (519 of 3543)	52.7 % (318 of 603)
Backbone	40.3 % (680 of 1689)	31.8 % (365 of 1146)	58.0 % (315 of 543)
Sidechain	6.3 % (155 of 2457)	6.4 % (153 of 2397)	3.3 % (2 of 60)
Aromatic	7.7 % (18 of 234)	7.9 % (18 of 228)	0.0 % (0 of 6)
Methyl	7.9 % (25 of 318)	7.9 % (25 of 318)

1. GrxS14

SALTPQLKDT LEKLVNSEKV VLFMKGTRDF PMCGFSNTVV QILKNLNVPF EDVNILENEM LRQGLKEYSN WPTFPQLYIG GEFFGGCDIT LEAFKTGELQ EEVEKAMCS

2. BolA2

VTKEQVEASL TSKLKPIHLE VIDISGGCGS SFEVEVVSEQ FEGKRLLERH RMVNAALEEE MKEIHALSIK KAQTPQQWKP

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Type	Concentration
18	BolA2	[U-100% 15N]		0.12 mM
19	phosphate buffer	natural abundance		50 mM
20	azide	natural abundance		0.02 %
21	H2O	natural abundance		90 %
22	D2O	natural abundance		10 %

Hide sample codition

Chem. Shift Complete4

Sequence coverage: 47.1 %, Completeness: 19.5 %, Completeness (bb): 38.6 % Detail

Download

• NMR-STAR v3.1 (partial)
• BMRB/XML (partial)
• CSV
• TSV

Polymer type: polypeptide(L)

	Total	1H	15N
All	19.5 % (1080 of 5528)	14.3 % (675 of 4724)	50.4 % (405 of 804)
Backbone	38.6 % (870 of 2252)	30.7 % (469 of 1528)	55.4 % (401 of 724)
Sidechain	6.3 % (208 of 3276)	6.4 % (205 of 3196)	3.8 % (3 of 80)
Aromatic	7.4 % (23 of 312)	7.6 % (23 of 304)	0.0 % (0 of 8)
Methyl	7.5 % (32 of 424)	7.5 % (32 of 424)

1. GrxS14

SALTPQLKDT LEKLVNSEKV VLFMKGTRDF PMCGFSNTVV QILKNLNVPF EDVNILENEM LRQGLKEYSN WPTFPQLYIG GEFFGGCDIT LEAFKTGELQ EEVEKAMCS

2. BolA2

VTKEQVEASL TSKLKPIHLE VIDISGGCGS SFEVEVVSEQ FEGKRLLERH RMVNAALEEE MKEIHALSIK KAQTPQQWKP

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Type	Concentration
1	BolA2	[U-100% 15N]		0.12 mM
2	GrxS14	natural abundance		0.012 ~ 0.24 mM
3	phosphate buffer	natural abundance		50 mM
4	azide	natural abundance		0.02 %
5	H2O	natural abundance		90 %
6	D2O	natural abundance		10 %

Hide sample codition

Protein Blocks Logo

Calculated from 1 models in PDB: 2MMA, Strand ID: A, B Detail

---

Release date

2014-07-20

Citation

Structural and spectroscopic insights into BolA-glutaredoxin complexes
Roret, T., Tsan, P., Couturier, J., Zhang, B., Johnson, M.K., Rouhier, N., Didierjean, C.
J. Biol. Chem. (2014), 289, 24588-24598, PubMed 25012657 , DOI 10.1074/jbc.M114.572701 , Abstract

Related entities 1. GrxS14, : 2 : 180 entities Detail

Related entities 2. BolA2, : 1 : 4 : 73 entities Detail

Interaction partners 1. GrxS14, : 3 : 1 interactors Detail

Interaction partners 2. BolA2, : 1 interactors Detail

Experiments performed 4 experiments Detail