BMRB: 16842

1H and 15N resonance assignments for fully reduced triheme cytochrome PpcA from Geobacter sulfurreducens

Authors

Morgado, L., Paixao, V.B., Bruix, M., Salgueiro, C.A.

Assembly

PpcA

Entity

1. PpcA backbone (polymer, Thiol state: all other bound), 71 monomers, 7724.962 Da Detail

ADDIVLKAKN GDVKFPHKAH QKAVPDCKKC HEKGPGKIEG FGKEMAHGKG CKGCHEEMKK GPTKCGECHK K

2. HEM (non-polymer, Thiol state: not present), 616.487 × 3 Da

Total weight

9574.423 Da

Max. entity weight

7724.962 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: 89.2 %, Completeness (bb): 96.7 % Detail

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Polymer type: polypeptide(L)

	Total	1H	15N
All	89.2 % (455 of 510)	88.0 % (388 of 441)	97.1 % (67 of 69)
Backbone	96.7 % (208 of 215)	96.6 % (143 of 148)	97.0 % (65 of 67)
Sidechain	83.7 % (247 of 295)	83.6 % (245 of 293)	100.0 % (2 of 2)
Aromatic	90.9 % (20 of 22)	90.9 % (20 of 22)
Methyl	94.4 % (17 of 18)	94.4 % (17 of 18)

1. PpcA backbone

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 7.1

#	Name	Isotope labeling	Type	Concentration
1	entity_1	natural abundance		1 mM
2	sodium phosphate	natural abundance		45 mM
3	sodium azide	natural abundance		0.04 %
4	H2O	natural abundance		93 %
5	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
6	entity_1	[U-15N]		1 mM
7	sodium phosphate	natural abundance		45 mM
8	sodium azide	natural abundance		0.04 %
9	H2O	natural abundance		93 %
10	D2O	natural abundance		7 %

Sample #3

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.1

#	Name	Isotope labeling	Type	Concentration
11	entity_1	natural abundance		1 mM
12	sodium phosphate	natural abundance		45 mM
13	sodium azide	natural abundance		0.04 %
14	D2O	natural abundance		100 %

Hide sample codition

Protein Blocks Logo

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

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Release date

2015-07-23

Citation

Backbone, side chain and heme resonance assignments of the triheme cytochrome PpcA from Geobacter sulfurreducens
Morgado, L.B., Paixao, V., Salgueiro, C.A., Bruix, M.
Biomol. NMR Assign. (2011), 5, 113-116, PubMed 21069484 , DOI 10.1007/s12104-010-9280-3 , Abstract

Related entities 1. PpcA backbone, : 1 : 2 : 3 : 9 : 26 entities Detail

Experiments performed 6 experiments Detail