BMRB: 4960

Solution Conformation of the Met 61 to His 61 Mutant of Pseudomonas stutzeri substarin ZoBell Ferrocytochrome c-551

Authors

Miller, G.T., Hardman, J.K., Timkovich, R.

Assembly

methionine to histidine mutant of cyt c-551

Entity

1. cytochrome c-551 (polymer, Thiol state: all other bound), 82 monomers, 8568.717 Da Detail

QDGEALFKSK PCAACHSVDT KMVGPALKEV AAKNAGVEGA ADTLALHIKN GSQGVWGPIP HPPNPVTEEE AKILAEWVLS LK

2. HEC (non-polymer), 618.503 Da

Total weight

9187.22 Da

Max. entity weight

8568.717 Da

Entity Connection

thioether 2, metal coordination 2 Detail

---

ID	Type	Value order	Atom ID 1	Atom ID 2
1	thioether	sing	1:CYS12:SG	2:HEC1:CAB
2	thioether	sing	1:CYS15:SG	2:HEC1:CAC
3	metal coordination	sing	1:HIS16:NE2	2:HEC1:FE
4	metal coordination	sing	1:HIS61:NE2	2:HEC1:FE

Source organism

Pseudomonas stutzeri ATCC 14405 = CCUG 16156

Exptl. method

NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete1

Sequence coverage: 98.8 %, Completeness: 85.1 %, Completeness (bb): 90.9 % Detail

Download

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

Polymer type: polypeptide(L)

	Total	1H
All	85.1 % (399 of 469)	85.1 % (399 of 469)
Backbone	90.9 % (149 of 164)	90.9 % (149 of 164)
Sidechain	82.0 % (250 of 305)	82.0 % (250 of 305)
Aromatic	87.0 % (20 of 23)	87.0 % (20 of 23)
Methyl	91.8 % (45 of 49)	91.8 % (45 of 49)

1. cytochrome c-551

QDGEALFKSK PCAACHSVDT KMVGPALKEV AAKNAGVEGA ADTLALHIKN GSQGVWGPIP HPPNPVTEEE AKILAEWVLS LK

Show sample condition

Sample

Temperature 323 (±1) K, pH 9.2 (±0.1), Details Conditions reported here produced the reported chemical shifts. Chemical shift assignment ambiguities were resolved by studying samples at different pH values and temperatures.

#	Name	Isotope labeling	Type	Concentration
1	cytochrome c-551			4.0 ~ 5.0 mM
2	H2O			90 %
3	D2O			10 %
4	sodium borate buffer			0.0 ~ 0.0 mM

Hide sample codition

Chem. Shift Complete2

Sequence coverage: 12.2 %, Completeness: 45.1 %, Completeness (bb): 50.0 % Detail

Download

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

Polymer type: polypeptide(L)

	Total	1H
All	45.1 % (423 of 938)	45.1 % (423 of 938)
Backbone	50.0 % (164 of 328)	50.0 % (164 of 328)
Sidechain	42.5 % (259 of 610)	42.5 % (259 of 610)
Aromatic	43.5 % (20 of 46)	43.5 % (20 of 46)
Methyl	50.0 % (49 of 98)	50.0 % (49 of 98)

1. cytochrome c-551

QDGEALFKSK PCAACHSVDT KMVGPALKEV AAKNAGVEGA ADTLALHIKN GSQGVWGPIP HPPNPVTEEE AKILAEWVLS LK

Show sample condition

Sample

Temperature 323 (±1) K, pH 9.2 (±0.1), Details Conditions reported here produced the reported chemical shifts. Chemical shift assignment ambiguities were resolved by studying samples at different pH values and temperatures.

#	Name	Isotope labeling	Type	Concentration
1	cytochrome c-551			4.0 ~ 5.0 mM
2	H2O			90 %
3	D2O			10 %
4	sodium borate buffer			0.0 ~ 0.0 mM

Hide sample codition

Protein Blocks Logo

Calculated from 1 models in PDB: 1FI3, Strand ID: A Detail

---

Release date

2001-03-08

Citation

Solution conformation of the Met 61 to His 61 mutant of Pseudomonas stutzeri ZoBell ferrocytochrome c-551
Miller, G.T., Hardman, J.K., Timkovich, R.
Biophys. J. (2001), 80, 2928-2934, PubMed 11371465 , DOI 10.1016/S0006-3495(01)76258-3 , Abstract

Related entities 1. cytochrome c-551, : 1 : 3 : 43 entities Detail

Experiments performed 3 experiments Detail