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Structure of wild-type psi MONOMER1 from cyanophora paradoxa

Analyse Structure of wild-type psi MONOMER1 from cyanophora paradoxa in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7DR0
Type
protein
Length
2,171 residues
Chains
11
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
A0A097PBL3, P48113, P31173, Q9T4W8, P48114, P48115, P48116, P48117, P48185
Ligands
CLA, BCR, SF4, PQN, LHG, CL0, LMG
Pockets
20 · best druggability 0.78

Structure

electron microscopy · 11 distinct chains · 52% helix, 5% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APhotosystem I P700 chlorophyll a apoprotein A1 (EC 1.97.1.12)protein73956% helix, 6% strandA0A097PBL3
BPhotosystem I P700 chlorophyll a apoprotein A2 (EC 1.97.1.12)protein70658% helix, 2% strandP48113
CPhotosystem I iron-sulfur center (EC 1.97.1.12)protein8014% helix, 20% strandP31173
DPhotosystem I reaction center subunit II, cyanelleprotein13912% helix, 12% strandQ9T4W8
EPhotosystem I reaction center subunit IVprotein625% helix, 32% strandP48114
FPhotosystem I reaction center subunit IIIprotein16158% helix, 5% strandP48115
IPhotosystem I reaction center subunit VIIIprotein3087% helix, 0% strandP48116
JPhotosystem I reaction center subunit IXprotein3770% helix, 3% strandP48117
KPhotosystem I reaction center subunit psak 1protein5754% helix, 0% strand—
LPhotosystem I reaction center subunit XIprotein13160% helix, 0% strand—
MPhotosystem I reaction center subunit XIIprotein2983% helix, 0% strandP48185

Ligands and binding sites

  • CLA · Chlorophyll A · ligand · 83 copies · chains A, B, F, J, K, L, D, I, M
  • BCR · Beta-carotene · ligand · 19 copies · chains A, B, F, J, I, K, L, M
  • SF4 · Iron/sulfur cluster · ligand · 3 copies · chains A, B, C
  • PQN · Phylloquinone · ligand · 2 copies · chains A, J, B
  • LHG · 1,2-dipalmitoyl-phosphatidyl-glycerole · ligand · 2 copies · chains A
  • CL0 · Chlorophyll A isomer · ligand · chains A, B
  • LMG · 1,2-distearoyl-monogalactosyl-diglyceride · ligand · chains B

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
17350.780.8259LMG
23910.770.8642CLA
33460.760.8638CL0, CLA
43010.740.8533CL0, CLA
5780.730.9628empty

Interfaces

24 interfaces between chains.

  • A–B · 3609 Ų buried · 39 hydrogen bonds · protein-protein
  • C–D · 1584 Ų buried · 20 hydrogen bonds · protein-protein
  • A–F · 1210 Ų buried · 10 hydrogen bonds · protein-protein
  • B–F · 1173 Ų buried · 11 hydrogen bonds · protein-protein
  • A–D · 905 Ų buried · 20 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 covalent, 1 disulfide (covalent ligand, disulfide).

Compared structures

  • 7DR0 · Structure of Wild-type PSI monomer1 from Cyanophora paradoxa · the same entry in another collection · chain M against M, TM-score 1.00
  • P48113 · AlphaFold monomer V2.0 prediction for photosystem I P700 chlorophyll a apoprotein A2… · a predicted model of the same protein · chain B against A, TM-score 1.00

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