BMRB: 25477

Solution structure of oxidized triheme cytochrome PpcA from Geobacter sulfurreducens

Authors

Morgado, L., Bruix, M., Pokkuluri, R., Salgueiro, C.A., Turner, D.L.

Assembly

oxidized triheme cytochrome PpcA

Entity

1. oxidized triheme cytochrome PpcA, entity 1 (polymer), 71 monomers, 7724.962 Da Detail

ADDIVLKAKN GDVKFPHKAH QKAVPDCKKC HEKGPGKIEG FGKEMAHGKG CKGCHEEMKK GPTKCGECHK K

2. oxidized triheme cytochrome PpcA, entity HEC (non-polymer), 618.503 × 3 Da

Total weight

9580.471 Da

Max. entity weight

7724.962 Da

Entity Connection

na 12 Detail

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	na	sing	1:CYS27:SG	2:HEC1:CAB
2	na	sing	1:CYS30:SG	2:HEC1:CAC
3	na	sing	1:HIS17:NE2	2:HEC1:FE
4	na	sing	1:HIS31:NE2	2:HEC1:FE
5	na	sing	1:CYS51:SG	2:HEC1:CAB
6	na	sing	1:CYS54:SG	2:HEC1:CAC
7	na	sing	1:HIS20:NE2	2:HEC1:FE
8	na	sing	1:HIS55:NE2	2:HEC1:FE
9	na	sing	1:CYS65:SG	2:HEC1:CAB
10	na	sing	1:CYS68:SG	2:HEC1:CAC
11	na	sing	1:HIS47:NE2	2:HEC1:FE
12	na	sing	1:HIS69:NE2	2:HEC1:FE

Source organism

Geobacter sulfurreducens

Exptl. method

solution NMR

Refine. method

torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 80.2 %, Completeness (bb): 96.7 % Detail

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Polymer type: polypeptide(L)

	Total	1H	15N
All	80.2 % (409 of 510)	78.5 % (346 of 441)	91.3 % (63 of 69)
Backbone	96.7 % (208 of 215)	98.0 % (145 of 148)	94.0 % (63 of 67)
Sidechain	68.1 % (201 of 295)	68.6 % (201 of 293)	0.0 % (0 of 2)
Aromatic	22.7 % (5 of 22)	22.7 % (5 of 22)
Methyl	100.0 % (18 of 18)	100.0 % (18 of 18)

1. entity 1

ADDIVLKAKN GDVKFPHKAH QKAVPDCKKC HEKGPGKIEG FGKEMAHGKG CKGCHEEMKK GPTKCGECHK K

Show sample condition

Sample #1

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5

#	Name	Isotope labeling	Type	Concentration
1	entity_1	natural abundance		2 mM
2	H2O	natural abundance		92 %
3	D2O	natural abundance		8 %
4	sodium phosphate	natural abundance		45 mM
5	sodium azide	natural abundance		0.04 %

Sample #2

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5

#	Name	Isotope labeling	Type	Concentration
6	entity_1	[U-100% 15N]		2 mM
7	H2O	natural abundance		92 %
8	D2O	natural abundance		8 %
9	sodium phosphate	natural abundance		45 mM
10	sodium azide	natural abundance		0.04 %

Hide sample codition

Protein Blocks Logo

Calculated from 20 models in PDB: 2MZ9, Strand ID: A Detail

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Release date

2016-02-07

Citation

Redox- and pH-linked conformational changes in triheme cytochrome PpcA from Geobacter sulfurreducens
Morgado, L., Bruix, M., Pokkuluri, R., Salgueiro, C.A., Turner, D.L.
Biochem. J. (2017), 474, 231-246, PubMed 28062839 , DOI 10.1042/BCJ20160932 , Abstract

Related entities 1. oxidized triheme cytochrome PpcA, entity 1, : 1 : 2 : 3 : 9 : 26 entities Detail

Experiments performed 3 experiments Detail