BMRB: 18787

Solution structure of a mutant of the triheme cytochrome PpcA from Geobacter sulfurreducens sheds light on the role of the conserved aromatic residue F15

Authors

Dantas, J.M., Morgado, L., Turner, D.L., Salgueiro, C.A.

Assembly

F15L polypeptide

Entity

1. F15L polypeptide (polymer, Thiol state: all other bound), 71 monomers, 7690.946 Da Detail

ADDIVLKAKN GDVKLPHKAH QKAVPDCKKC HEKGPGKIEG FGKEMAHGKG CKGCHEEMKK GPTKCGECHK K

2. PROTOPORPHYRIN IX CONTAINING FE (non-polymer, Thiol state: not present), 616.487 × 3 Da

Total weight

9540.406 Da

Max. entity weight

7690.946 Da

Entity Connection

na 6, thioether 6 Detail

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	thioether	sing	1:CYS27:SG	2:HEM1:CAB
2	thioether	sing	1:CYS30:SG	2:HEM1:CAC
3	thioether	sing	1:CYS51:SG	2:HEM1:CAB
4	thioether	sing	1:CYS54:SG	2:HEM1:CAC
5	thioether	sing	1:CYS65:SG	2:HEM1:CAB
6	thioether	sing	1:CYS68:SG	2:HEM1:CAC
7	na	sing	1:HIS17:NE2	2:HEM1:FE
8	na	sing	1:HIS31:NE2	2:HEM1:FE
9	na	sing	1:HIS20:NE2	2:HEM1:FE
10	na	sing	1:HIS55:NE2	2:HEM1:FE
11	na	sing	1:HIS47:NE2	2:HEM1:FE
12	na	sing	1:HIS69:NE2	2:HEM1:FE

Source organism

Geobacter sulfurreducens

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 86.8 %, Completeness (bb): 99.1 % Detail

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Polymer type: polypeptide(L)

	Total	1H	15N
All	86.8 % (441 of 508)	85.0 % (373 of 439)	98.6 % (68 of 69)
Backbone	99.1 % (213 of 215)	99.3 % (147 of 148)	98.5 % (66 of 67)
Sidechain	77.8 % (228 of 293)	77.7 % (226 of 291)	100.0 % (2 of 2)
Aromatic	82.4 % (14 of 17)	82.4 % (14 of 17)
Methyl	100.0 % (20 of 20)	100.0 % (20 of 20)

1. F15L polypeptide

ADDIVLKAKN GDVKLPHKAH QKAVPDCKKC HEKGPGKIEG FGKEMAHGKG CKGCHEEMKK GPTKCGECHK K

Show sample condition

Sample #1

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.1

#	Name	Isotope labeling	Type	Concentration
1	F15L	natural abundance		0.4 mM
2	PROTOPORPHYRIN IX CONTAINING FE	natural abundance		3 mM
3	sodium phosphate	natural abundance		45 mM
4	sodium azide	natural abundance		0.04 %
5	H2O	natural abundance		93 %
6	D2O	natural abundance		7 %

Sample #2

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.1

#	Name	Isotope labeling	Type	Concentration
7	F15L polypeptide	[U-100% 15N]		0.4 mM
8	PROTOPORPHYRIN IX CONTAINING FE	natural abundance		3 mM
9	sodium phosphate	natural abundance		45 mM
10	sodium azide	natural abundance		0.04 %
11	H2O	natural abundance		93 %
12	D2O	natural abundance		7 %

Hide sample codition

Protein Blocks Logo

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

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Release date

2013-01-27

Citation

Solution structure of a mutant of the triheme cytochrome PpcA from Geobacter sulfurreducens sheds light on the role of the conserved aromatic residue F15
Dantas, J.M., Morgado, L., Pokkuluri, P., Turner, D.L., Salgueiro, C.A.
Biochim. Biophys. Acta (2013), 1827, 484-492, PubMed 23313804 , DOI 10.1016/j.bbabio.2012.12.008 , Abstract

Related entities 1. F15L polypeptide, : 1 : 1 : 10 : 28 entities Detail

Experiments performed 4 experiments Detail