BMRB: 4231

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

Authors

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

Assembly

ferredoxin

Entity

1. ferredoxin (polymer, Thiol state: free and 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	2:SF41:FE1	1:CYS8:SG
2	metal coordination	sing	2:SF41:FE2	1:CYS13:SG
3	metal coordination	sing	2:SF41:FE3	1:CYS16:SG
4	metal coordination	sing	2:SF41:FE4	1:CYS49:SG
5	metal coordination	sing	2:SF41:FE1	1:CYS20:SG
6	metal coordination	sing	2:SF41:FE2	1:CYS39:SG
7	metal coordination	sing	2:SF41:FE3	1:CYS42:SG
8	metal coordination	sing	2:SF41:FE4	1:CYS45:SG

Source organism

Hydrogenibacillus schlegelii

Exptl. method

NMR

Refine. method

TORSION ANGLE DYNAMICS, RESTRAINED ENERGY MINIMIZATION, RESTRAINED MOLECULAR DYNAMICS

Data set

assigned_chemical_shifts

Chem. Shift Complete1

Sequence coverage: 97.4 %, Completeness: 87.8 %, Completeness (bb): 82.9 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	87.8 % (395 of 450)	87.8 % (395 of 450)
Backbone	82.9 % (126 of 152)	82.9 % (126 of 152)
Sidechain	90.3 % (269 of 298)	90.3 % (269 of 298)
Aromatic	86.7 % (39 of 45)	86.7 % (39 of 45)
Methyl	64.9 % (24 of 37)	64.9 % (24 of 37)

1. ferredoxin

AYVITEPCIG TKCASCVEVC PVDCIHEGED QYYIDPDVCI DCGACEAVCP VSAIYHEDFV PEEWKSYIQK NRDFFKK

Show sample condition

Sample

Pressure 1 atm, Temperature 300 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	ferredoxin			0.0 ~ 0.0 mM

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Chem. Shift Complete2

Sequence coverage: 50.6 %, Completeness: 67.7 %, Completeness (bb): 66.1 % Detail

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• NMR-STAR v3.1 (partial)
• BMRB/XML (partial)
• CSV
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Polymer type: polypeptide(L)

	Total	1H
All	67.7 % (609 of 900)	67.7 % (609 of 900)
Backbone	66.1 % (201 of 304)	66.1 % (201 of 304)
Sidechain	68.5 % (408 of 596)	68.5 % (408 of 596)
Aromatic	74.4 % (67 of 90)	74.4 % (67 of 90)
Methyl	54.1 % (40 of 74)	54.1 % (40 of 74)

1. ferredoxin

AYVITEPCIG TKCASCVEVC PVDCIHEGED QYYIDPDVCI DCGACEAVCP VSAIYHEDFV PEEWKSYIQK NRDFFKK

Show sample condition

Sample

Pressure 1 atm, Temperature 282 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	ferredoxin			0.0 ~ 0.0 mM

Hide sample codition

Protein Blocks Logo

Calculated from 20 models in PDB: 1BWE, Strand ID: A Detail

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Release date

1998-09-23

Citation

Solution structure of an artificial 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 9874217 , DOI 10.1046/j.1432-1327.1998.2580502.x , Abstract

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

Experiments performed 4 experiments Detail