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BMRB: 17751

2LFF

Solution structure of Diiron protein in presence of 8 eq Zn2+, Northeast Structural Genomics consortium target OR21

Authors

Pires, M., Wu, Y., Mills, J., Reig, A., Englander, W., DeGrado, W., Szyperski, T.

Assembly

Diiron

Entity

1. Diiron (polymer, Thiol state: not present), 115 monomers, 13462.05 Da Detail

MDELRELLKA EQQGIKILKE VLKKAKEGDE QELARLNQEI VKAEKQGVKV YKEAAEKARN PEKRQVIDKI LEDEEKHIEW HKAASKQGNA EQFASLVQQH LQDEQRHVEE IEKKN

2. ZIN (non-polymer, Thiol state: not present), 236.269 × 3 Da
3. ZN (non-polymer, Thiol state: not present), 65.409 × 3 Da

Total weight

14367.083 Da

Max. entity weight

13462.05 Da

Source organism

Escherichia coli

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 99.1 %, Completeness: 90.8 %, Completeness (bb): 83.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	90.8 % (1292 of 1423)	97.6 % (745 of 763)	79.6 % (421 of 529)	96.2 % (126 of 131)
Backbone	83.3 % (573 of 688)	97.0 % (226 of 233)	69.8 % (238 of 341)	95.6 % (109 of 114)
Sidechain	97.9 % (828 of 846)	97.9 % (519 of 530)	97.7 % (292 of 299)	100.0 % (17 of 17)
Aromatic	91.3 % (42 of 46)	100.0 % (23 of 23)	81.8 % (18 of 22)	100.0 % (1 of 1)
Methyl	100.0 % (118 of 118)	100.0 % (59 of 59)	100.0 % (59 of 59)

1. Diiron

MDELRELLKA EQQGIKILKE VLKKAKEGDE QELARLNQEI VKAEKQGVKV YKEAAEKARN PEKRQVIDKI LEDEEKHIEW HKAASKQGNA EQFASLVQQH LQDEQRHVEE IEKKN

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.8

#	Name	Isotope labeling	Concentration
1	Diiron	[U-100% 13C; U-100% 15N]	0.8 mM
2	H2O	natural abundance	95.0 %
3	D2O	natural abundance	5.0 %

Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.8

#	Name	Isotope labeling	Concentration
4	Diiron	[U-10% 13C; U-100% 15N]	0.3 mM
5	H2O	natural abundance	95.0 %
6	D2O	natural abundance	5.0 %

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: -0.01 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: -0.01 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: 0.03 ppm, Outliers: 1 Detail

Protein Blocks Logo

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

Release date

2011-08-24

Citation

Solution structure of Diiron protein in presence of 8 eq Zn2+
Pires, M., Wu, Y., Mills, J., Reig, A., Englander, W., DeGrado, W., Szyperski, T.
Not known

Related entities 1. Diiron, : 1 : 1 : 1 : 7 entities Detail

Experiments performed 11 experiments Detail

1 2D 1H-15N HSQC