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The structure of a red shifted photosystem I complex

Analyse The structure of a red shifted photosystem I complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6UZV
Type
protein
Length
6,711 residues
Chains
33
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Photosystem I P700 chlorophyll a apoprotein A1; Photosystem I P700 chlorophyll a…
EC
1.97.1.12
UniProt
P29254, P32422, P19569, P12975, P29256, Q55330, Q55329, P37277, P72986, P74564
Ligands
CLA, BCR, LHG, LMG, SF4, PQN, CL0, CA
Pockets
20 · best druggability 0.86

Structure

electron microscopy · 11 distinct chains · 53% helix, 6% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, a, 1Photosystem I P700 chlorophyll a apoprotein A1 (EC 1.97.1.12)protein73958% helix, 4% strandP29254
B, b, 2Photosystem I P700 chlorophyll a apoprotein A2protein73357% helix, 3% strand—
C, c, 3Photosystem I iron-sulfur center (EC 1.97.1.12)protein8011% helix, 20% strandP32422
D, d, 4Photosystem I reaction center subunit IIprotein13814% helix, 22% strandP19569
E, e, 5Photosystem I reaction center subunit IVprotein680% helix, 34% strandP12975
F, f, 6Photosystem I reaction center subunit IIIprotein14155% helix, 6% strandP29256
I, i, hPhotosystem I reaction center subunit VIIIprotein3770% helix, 0% strandQ55330
J, j, 7Photosystem I reaction center subunit IXprotein3972% helix, 3% strandQ55329
L, l, 0Photosystem I reaction center subunit XIprotein15362% helix, 4% strandP37277
M, m, 9Photosystem I reaction center subunit XIIprotein3087% helix, 0% strandP72986
K, k, 8Photosystem I reaction center subunit psak 2protein7965% helix, 0% strandP74564

Ligands and binding sites

  • CLA · Chlorophyll A · ligand · 288 copies · chains A, B, F, J, K, L, I, 0, b, m, D, M, 8, i, l, a, f, j, k, 2, 9, 1, 7, h, 6, d, 4
  • BCR · Beta-carotene · ligand · 69 copies · chains A, B, F, J, I, L, l, M, K, a, b, 1, 2, f, j, m, 6, 7, i, h, 0, k, 8, 9
  • LHG · 1,2-dipalmitoyl-phosphatidyl-glycerole · ligand · 12 copies · chains A, E, B, I, M, 0, a, e, 1, 5, b, 2, L, i, m, h, l, 9
  • LMG · 1,2-distearoyl-monogalactosyl-diglyceride · ligand · 12 copies · chains A, L, m, B, i, l, a, 9, M, 1, b, 2, h, I, 0
  • SF4 · Iron/sulfur cluster · ligand · 9 copies · chains A, B, C, a, b, 1, 2, c, 3
  • PQN · Phylloquinone · ligand · 6 copies · chains A, B, a, 1, b, 2
  • CL0 · Chlorophyll A isomer · ligand · 3 copies · chains A, B, a, b, 1, 2
  • CA · Calcium ion · metal · 3 copies · chains A, L, 0, a, l, 1
  • LMT · Dodecyl-beta-D-maltoside · additive · 6 copies · chains A, F, I, 0, a, f, 1, 6, 7, L, i, h, 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, 20 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111980.860.86107CL0, CLA
210160.860.8698CL0, CLA
310590.860.86106CL0, CLA
410570.840.84100CLA, BCR
511800.790.8094LMG, CLA

Interfaces

90 interfaces between chains.

  • A–B · 3553 Ų buried · 38 hydrogen bonds · protein-protein
  • a–b · 3553 Ų buried · 42 hydrogen bonds · protein-protein
  • 1–2 · 3531 Ų buried · 37 hydrogen bonds · protein-protein
  • c–d · 1612 Ų buried · 16 hydrogen bonds · protein-protein
  • 3–4 · 1611 Ų buried · 16 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 disulfide (disulfide).

Compared structures

  • 6UZV · The structure of a red shifted photosystem I complex · the same entry in another collection · chain K against K, TM-score 1.00

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