BMRB: 4229

Artificial Fe8S8 ferredoxin: the D13C variant of Bacillus schlegelii Fe7S8 ferredoxin

Authors

Aono, S., Bentrop, D., Bertini, I., Cosenza, G., Luchinat, C.

Assembly

Fe8S8 Fd

Entity

1. ferredoxin (polymer, Thiol state: all other bound), 77 monomers, 8730.813 Da Detail

AYVITEPCIG TKCASCVEVC PVDCIHEGED QYYIDPDVCI DCGACEAVCP VSAIYHEDFV PEEWKSYIQK NRDFFKK

2. IRON/SULFUR CLUSTER (non-polymer), 351.640 × 2 Da

Total weight

9434.094 Da

Max. entity weight

8730.813 Da

Entity Connection

metal coordination 8 Detail

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	metal coordination	sing	1:CYS8:SG	2:SF41:FE
2	metal coordination	sing	1:CYS13:SG	2:SF41:FE
3	metal coordination	sing	1:CYS16:SG	2:SF41:FE
4	metal coordination	sing	1:CYS49:SG	2:SF41:FE
5	metal coordination	sing	1:CYS20:SG	2:SF41:FE
6	metal coordination	sing	1:CYS39:SG	2:SF41:FE
7	metal coordination	sing	1:CYS42:SG	2:SF41:FE
8	metal coordination	sing	1:CYS45:SG	2:SF41:FE

Source organism

Hydrogenibacillus schlegelii

Exptl. method

NMR

Refine. method

TORSION ANGLE DYNAMICS, RESTRAINED ENERGY MINIMIZATION, RESTRAINED MOLECULAR

Data set

assigned_chemical_shifts

Chem. Shift Complete1

Sequence coverage: 98.7 %, Completeness: 80.4 %, Completeness (bb): 86.8 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	80.4 % (362 of 450)	80.4 % (362 of 450)
Backbone	86.8 % (132 of 152)	86.8 % (132 of 152)
Sidechain	77.2 % (230 of 298)	77.2 % (230 of 298)
Aromatic	46.7 % (21 of 45)	46.7 % (21 of 45)
Methyl	70.3 % (26 of 37)	70.3 % (26 of 37)

1. ferredoxin

AYVITEPCIG TKCASCVEVC PVDCIHEGED QYYIDPDVCI DCGACEAVCP VSAIYHEDFV PEEWKSYIQK NRDFFKK

Show sample condition

Sample

Pressure 1 atm, Temperature 300 (±0.5) K, pH 6.5 (±0.1), Details The sample was exchanged into D2O solution by ultrafiltration (Centrikon-3 tube) before the spectra were collected.

#	Name	Isotope labeling	Type	Concentration
1	ferredoxin			2.0 ~ 3.3 mM

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Chem. Shift Complete2

Sequence coverage: 54.5 %, Completeness: 60.6 %, Completeness (bb): 67.4 % Detail

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• NMR-STAR v3.1 (partial)
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Polymer type: polypeptide(L)

	Total	1H
All	60.6 % (545 of 900)	60.6 % (545 of 900)
Backbone	67.4 % (205 of 304)	67.4 % (205 of 304)
Sidechain	57.0 % (340 of 596)	57.0 % (340 of 596)
Aromatic	38.9 % (35 of 90)	38.9 % (35 of 90)
Methyl	51.4 % (38 of 74)	51.4 % (38 of 74)

1. ferredoxin

AYVITEPCIG TKCASCVEVC PVDCIHEGED QYYIDPDVCI DCGACEAVCP VSAIYHEDFV PEEWKSYIQK NRDFFKK

Show sample condition

Sample

Pressure 1 atm, Temperature 282 (±0.5) K, pH 6.5 (±0.1), Details The sample was exchanged into D2O solution by ultrafiltration (Centrikon-3 tube) before the spectra were collected.

#	Name	Isotope labeling	Type	Concentration
1	ferredoxin			2.0 ~ 3.3 mM

Hide sample codition

Protein Blocks Logo

Calculated from 1 models in PDB: 1BQX, Strand ID: A Detail

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Release date

1998-08-19

Citation

Solution structure of an artficial Fe8S8 ferredoxin: the D13C variant of Bacillus schlegelii Fe7S8 ferredoxin"
Aono, S., Bentrop, D., Bertini, I., Cosenza, G., Luchinat, C.
Eur. J. Biochem. (1998), 258, 502-514, PubMed , DOI:

Related entities 1. ferredoxin, : 1 : 1 : 3 : 139 entities Detail

Experiments performed 4 experiments Detail