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Dimeric PSI of Chlamydomonas reinhardtii at 2.74 A resolution (symmetry expanded)

Analyse Dimeric PSI of Chlamydomonas reinhardtii at 2.74 A resolution (symmetry… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7ZQ9
Type
protein
Length
4,713 residues
Chains
24
Method
electron microscopy
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
2.74
Source
Chlamydomonas reinhardtii
Molecule
Photosystem I P700 chlorophyll a apoprotein A1; Photosystem I P700 chlorophyll a…
EC
1.97.1.12
UniProt
P12154, P09144, Q00914, Q39615, P12352, P12356, P14224, A8IFG7, P59777, A8IL32, P14225, Q05093, A8JF10, Q84Y02, Q75VY7, Q75VZ0, Q75VY8, Q75VY6, A8ITV3
Ligands
CLA, BCR, CHL, LUT, LMG, LHG, XAT, SF4, PQN, NEX, CL0, LMU, DGD
Pockets
20 · best druggability 0.83

Structure

electron microscopy · resolution 2.74 · 22 distinct chains · 56% helix, 5% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APhotosystem I P700 chlorophyll a apoprotein A1 (EC 1.97.1.12)protein74263% helix, 5% strandP12154
BPhotosystem I P700 chlorophyll a apoprotein A2 (EC 1.97.1.12)protein73363% helix, 3% strandP09144
CPhotosystem I iron-sulfur center (EC 1.97.1.12)protein8016% helix, 21% strandQ00914
DPhotosystem I reaction center subunit II, chloroplasticprotein14417% helix, 25% strandQ39615
EPhotosystem I reaction center subunit IV, chloroplasticprotein645% helix, 36% strandP12352
FPhotosystem I reaction center subunit III, chloroplasticprotein16566% helix, 5% strandP12356
GPhotosystem I reaction center subunit V, chloroplasticprotein9562% helix, 0% strandP14224
I, I2Photosystem I reaction center subunit VIIIprotein3770% helix, 3% strandA8IFG7
JPhotosystem I reaction center subunit IXprotein4073% helix, 3% strandP59777
LPSI subunit Vprotein12469% helix, 1% strandA8IL32
KPhotosystem I reaction center subunit psaK, chloroplasticprotein8650% helix, 9% strandP14225
1, ZChlorophyll a-b binding protein, chloroplasticprotein19453% helix, 2% strandQ05093
3Chlorophyll a-b binding protein, chloroplasticprotein22752% helix, 1% strandA8JF10
7Chlorophyll a-b binding protein, chloroplasticprotein21356% helix, 1% strandQ84Y02
8Chlorophyll a-b binding protein, chloroplasticprotein21761% helix, 0% strandQ75VY7
4Chlorophyll a-b binding protein, chloroplastic (Lhca4)protein21252% helix, 2% strandQ75VZ0
5Chlorophyll a-b binding protein, chloroplasticprotein22750% helix, 5% strandQ75VY8
6Chlorophyll a-b binding protein, chloroplasticprotein23048% helix, 8% strandQ75VY6
9Chlorophyll a-b binding protein, chloroplasticprotein18657% helix, 1% strandA8ITV3
B2Photosystem I P700 chlorophyll a apoprotein A2protein18051% helix, 3% strand—
L2PSI subunit Vprotein10273% helix, 0% strandA8IL32
92Chlorophyll a-b binding protein, chloroplasticprotein18458% helix, 1% strandA8ITV3

Ligands and binding sites

  • CLA · Chlorophyll A · ligand · 226 copies · chains A, B, F, J, 3, K, 7, L, D, I, G, 9, 1, 8, Z, 5, 6, 4, I2, L2, B2, 92
  • BCR · Beta-carotene · ligand · 36 copies · chains A, B, G, F, J, 9, I, L, K, 3, 5, 7, 8, 4, 6, I2, B2, 92, L2
  • CHL · Chlorophyll B · ligand · 32 copies · chains 1, 8, 3, 7, Z, 4, 6, 5, 9, B, 92, B2
  • LUT · (3R,3'R,6S)-4,5-didehydro-5,6-dihydro-beta,beta-carotene-3,3'-diol · ligand · 20 copies · chains A, J, F, 1, G, 3, 7, 8, 4, Z, 5, 6, 9, 92
  • LMG · 1,2-distearoyl-monogalactosyl-diglyceride · ligand · 17 copies · chains A, L, J, 7, B, I, G, F, 1, 8, 3, 5, 4, 6, 9, B2, I2, 92
  • LHG · 1,2-dipalmitoyl-phosphatidyl-glycerole · ligand · 16 copies · chains A, B, 1, 8, 3, 7, 5, Z, 4, 6, 9, 92
  • XAT · (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-diepoxy-5,6,5',6'-tetrahydro-beta,beta-carotene-3,3'-diol · ligand · 7 copies · chains 1, 7, 8, Z, 4, 5, 6
  • SF4 · Iron/sulfur cluster · ligand · 3 copies · chains A, B, C
  • PQN · Phylloquinone · ligand · 2 copies · chains A, J, B
  • NEX · (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R, 6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13, 15,17-nonaenylidene}-1,5,5-trimethylcyclohexane-1,3-diol · ligand · 2 copies · chains 5, 6, 4
  • CL0 · Chlorophyll A isomer · ligand · chains A, B
  • LMU · Dodecyl-alpha-D-maltoside · sugar · 34 copies · chains A, 3, J, K, 7, B, G, 1, Z, 8, 4, F, 6, 5, 9, I2, I, 92
  • DGD · Digalactosyl diacyl glycerol (dgdg) · sugar · chains B, C, D

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
17670.830.8669DGD
24360.780.8545CL0, CLA
34030.780.8644CLA
46850.720.7894CLA
56740.710.7862CLA

Interfaces

51 interfaces between chains.

  • A–B · 3489 Ų buried · 40 hydrogen bonds · protein-protein
  • C–D · 1616 Ų buried · 25 hydrogen bonds · protein-protein
  • B–G · 1336 Ų buried · 13 hydrogen bonds · protein-protein
  • B–F · 1110 Ų buried · 12 hydrogen bonds · protein-protein
  • A–F · 1095 Ų buried · 14 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 disulfide, 1 modified (disulfide, nonstandard).

Compared structures

  • P12154 · AlphaFold monomer V2.0 prediction for photosystem I P700 chlorophyll a apoprotein A1… · a predicted model of the same protein · chain A against A, TM-score 1.00
  • P09144 · 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
  • Q39615 · AlphaFold monomer V2.0 prediction for photosystem I reaction center subunit II… · a predicted model of the same protein · chain D against A, TM-score 0.99
  • Q00914 · AlphaFold monomer V2.0 prediction for photosystem I iron-sulfur center (Q00914) · a predicted model of the same protein · chain C against A, TM-score 0.98
  • P12352 · AlphaFold monomer V2.0 prediction for photosystem I reaction center subunit IV… · a predicted model of the same protein · chain E against A, TM-score 0.96
  • P12356 · AlphaFold monomer V2.0 prediction for photosystem I reaction center subunit III… · a predicted model of the same protein · chain F against A, TM-score 0.95
  • P59777 · AlphaFold monomer V2.0 prediction for photosystem I reaction center subunit IX (P59777) · a predicted model of the same protein · chain J against A, TM-score 0.94
  • P14225 · AlphaFold monomer V2.0 prediction for photosystem I reaction center subunit psak… · a predicted model of the same protein · chain K against A, TM-score 0.83
  • P14224 · AlphaFold monomer V2.0 prediction for photosystem I reaction center subunit V… · a predicted model of the same protein · chain G against A, TM-score 0.80

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