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3.15 ångström cryo-EM structure of the dimeric cytochrome B6F complex from synechocystis sp. pcc 6803 with natively bound plastoquinone and lipid molecules.

Analyse 3.15 ångström cryo-EM structure of the dimeric cytochrome B6F complex from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7ZXY
Type
protein
Length
1,913 residues
Chains
16
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Cytochrome B6; Cytochrome B6-F complex subunit 4; Cytochrome F; Cytochrome B6-F complex…
EC
7.1.1.6
UniProt
Q57038, P27589, P26287, P26290, A0A6P1VG96, P74810, P74149, P72717
Ligands
PGV, HEM, HEC, ECH, CLA, LFA, FES
Pockets
20 · best druggability 0.86

Structure

electron microscopy · 10 distinct chains · 46% helix, 12% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, ICytochrome B6protein22070% helix, 1% strandQ57038
BCytochrome B6-F complex subunit 4protein15851% helix, 3% strandP27589
C, KCytochrome Fprotein27919% helix, 28% strandP26287
D, LCytochrome B6-F complex iron-sulfur subunit 2 (EC 7.1.1.6)protein16822% helix, 25% strandP26290
E, MCytochrome B6protein3281% helix, 0% strandA0A6P1VG96
FCytochrome B6-F complex subunit 7protein3667% helix, 0% strandP74810
G, OCytochrome B6-F complex subunit 5protein3574% helix, 0% strandP74149
H, PCytochrome B6-F complex subunit 8protein2976% helix, 0% strandP72717
JCytochrome B6-F complex subunit 4protein15954% helix, 3% strandP27589
NCytochrome B6-F complex subunit 7protein3474% helix, 0% strandP74810

Ligands and binding sites

  • PGV · (1R)-2-{[{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy) phosphoryl]oxy}-1-[(palmitoyloxy)methyl]ethyl (11E)-octadec-11-enoate · ligand · 7 copies · chains A, B, F, G, C, D, I, J, K, L, O, N
  • HEM · Protoporphyrin IX containing Fe · ligand · 4 copies · chains A, B, I, J
  • HEC · Heme C · ligand · 4 copies · chains A, B, H, C, I, J, P, K
  • ECH · beta,beta-caroten-4-one · ligand · 2 copies · chains A, B, F, G, H, I, J, N, O, P
  • CLA · Chlorophyll A · ligand · 2 copies · chains A, B, I, J
  • LFA · Eicosane · ligand · 2 copies · chains E
  • FES · Fe2/s2 (inorganic) cluster · ligand · 2 copies · chains D, L

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

20 pockets found on a 1 Å grid, 15 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13630.860.9445ECH
211460.860.86106HEM, HEC, CLA
311540.860.86100HEM, HEC, CLA
49560.850.86115HEM
52770.840.9545HEM

Interfaces

52 interfaces between chains.

  • A–B · 3445 Ų buried · 41 hydrogen bonds · protein-protein
  • I–J · 3399 Ų buried · 34 hydrogen bonds · protein-protein
  • A–I · 1780 Ų buried · 10 hydrogen bonds · protein-protein
  • J–K · 1341 Ų buried · 17 hydrogen bonds · protein-protein
  • B–C · 1311 Ų buried · 16 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 cofactor, 1 disulfide (heme c attachment, disulfide).

Compared structures

  • 7ZXY · 3.15 Angstrom cryo-EM structure of the dimeric cytochrome b6f complex from Synechocystis… · the same entry in another collection · chain K against K, TM-score 1.00

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