BMRB: 4837

Solution Structure of Methylophilus methylotrophus Cytochrome C'': Insights into the Structural Basis of Heme-ligand Detachment

Authors

Brennan, L., Turner, D.L., Fareleira, P., Santos, H.

Assembly

CYTOCHROME C''

Entity

1. CYTOCHROME C'' (polymer, Thiol state: all other bound), 124 monomers, 13679.32 Da Detail

DVTNAEKLVY KYTNIAHSAN PMYEAPSITD GKIFFNRKFK TPSGKEAACA SCHTNNPANV GKNIVTGKEI PPLAPRVNTK RFTDIDKVED EFTKHCNDIL GADCSPSEKA NFIAYLLTET KPTK

2. PROTOPORPHYRIN IX CONTAINING FE (non-polymer), 1 monomers, na Da

Formula weight

13679.32 Da

Entity Connection

metal coordination 4 Detail

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	metal coordination	sing	2:HEC_ox1:CAB	1:CYS49:SG
2	metal coordination	sing	2:HEC_ox1:CAC	1:CYS52:SG
3	metal coordination	sing	2:HEC_ox1:FE	1:HIS95:NE2
4	metal coordination	sing	2:HEC_ox1:FE	1:HIS53:NE2

Source organism

Methylophilus methylotrophus

Exptl. method

NMR

Refine. method

TORSION ANGLE DYNAMICS WITH SIMULATED ANNEALING

Data set

assigned_chemical_shifts

Chem. Shift Complete1

Sequence coverage: 100.0 %, Completeness: 97.4 %, Completeness (bb): 99.6 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	97.4 % (724 of 743)	97.4 % (724 of 743)
Backbone	99.6 % (243 of 244)	99.6 % (243 of 244)
Sidechain	96.4 % (481 of 499)	96.4 % (481 of 499)
Aromatic	92.3 % (48 of 52)	92.3 % (48 of 52)
Methyl	100.0 % (62 of 62)	100.0 % (62 of 62)

1. CYTOCHROME C''

DVTNAEKLVY KYTNIAHSAN PMYEAPSITD GKIFFNRKFK TPSGKEAACA SCHTNNPANV GKNIVTGKEI PPLAPRVNTK RFTDIDKVED EFTKHCNDIL GADCSPSEKA NFIAYLLTET KPTK

Show sample condition

Sample

Temperature 298 (±1) K, pH 5.6 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	CYTOCHROME C''			3.5 mM
2	ampicillin			70 uM
3	kanamicine			50 uM
4	chloramphenicol			50 uM

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Chem. Shift Complete2

Sequence coverage: 14.5 %, Completeness: 53.2 %, Completeness (bb): 56.1 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	53.2 % (790 of 1486)	53.2 % (790 of 1486)
Backbone	56.1 % (274 of 488)	56.1 % (274 of 488)
Sidechain	51.7 % (516 of 998)	51.7 % (516 of 998)
Aromatic	50.0 % (52 of 104)	50.0 % (52 of 104)
Methyl	53.2 % (66 of 124)	53.2 % (66 of 124)

1. CYTOCHROME C''

DVTNAEKLVY KYTNIAHSAN PMYEAPSITD GKIFFNRKFK TPSGKEAACA SCHTNNPANV GKNIVTGKEI PPLAPRVNTK RFTDIDKVED EFTKHCNDIL GADCSPSEKA NFIAYLLTET KPTK

Show sample condition

Sample

Temperature 298 (±1) K, pH 5.6 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	CYTOCHROME C''			3.5 mM
2	ampicillin			70 uM
3	kanamicine			50 uM
4	chloramphenicol			50 uM

Hide sample codition

Protein Blocks Logo

Calculated from 20 models in PDB: 1E8E, Strand ID: A Detail

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Release date

2001-07-10

Citation

Solution structure of Methylophilus methylotrophus cytochrome c": insights into the structural basis of haem-ligand detachment
Brennan, L., Turner, D.L., Fareleira, P., Santos, H.
J. Mol. Biol. (2001), 308, 353-365, PubMed 11327772 , DOI 10.1006/jmbi.2001.4600 , Abstract

Related entities 1. CYTOCHROME C'', : 1 : 3 : 1 entities Detail

Experiments performed 5 experiments Detail