BMRBj - BMREntryMaster

Found 1 Document (0.701 seconds)

BMRB: 17749

2LFD

Solution NMR structure of Diiron protein in presence of 2 eq Zn2+, Northeast Structural Genomics Consortium Target OR21

Authors

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

Assembly

entity

Entity

1. entity, entity 1 (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 × 2 Da
3. ZN (non-polymer, Thiol state: not present), 65.409 × 2 Da

Total weight

14065.406 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: 100.0 %, Completeness: 90.6 %, Completeness (bb): 82.4 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	90.6 % (1289 of 1423)	98.2 % (749 of 763)	78.3 % (414 of 529)	96.2 % (126 of 131)
Backbone	82.4 % (567 of 688)	97.4 % (227 of 233)	67.7 % (231 of 341)	95.6 % (109 of 114)
Sidechain	98.3 % (832 of 846)	98.5 % (522 of 530)	98.0 % (293 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. entity 1

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	entity_1	[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	entity_1	[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: -0.21 ppm, Outliers: 2 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: -0.21 ppm, Outliers: 2 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: 0.02 ppm, Outliers: 1 Detail

Protein Blocks Logo

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

Release date

2011-08-24

Citation

Solution NMR structure of Diiron protein in presence of 2 eq Zn2+
Wu, Y., Pires, M., Mills, J., Reig, A., Szyperski, T., DeGrado, W.
Not known

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

Experiments performed 11 experiments Detail

1 2D 1H-15N HSQC