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Photosystem I of a temperature sensitive mutant chlamydomonas reinhardtii

Analyse Photosystem I of a temperature sensitive mutant chlamydomonas reinhardtii in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7BLX
Type
protein
Length
3,989 residues
Chains
19
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
P12154, P09144, Q00914, Q39615, P12352, P12356, P14224, A8IFG7, P59777, P14225, A8IL32, Q7DM26, Q75VY9, Q84Y02, Q75VY7, Q75VZ0, Q75VY8, Q75VY6
Ligands
CLA, BCR, CHL, LUT, LHG, 3PH, SF4, NKP, C7Z, SPH, PQN, LMG, CL0, OCA, DAO, DGA…
Pockets
20 · best druggability 0.83

Structure

electron microscopy · 18 distinct chains · 53% helix, 5% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APhotosystem I P700 chlorophyll a apoprotein A1 (EC 1.97.1.12)protein74161% helix, 5% strandP12154
BPhotosystem I P700 chlorophyll a apoprotein A2 (EC 1.97.1.12)protein73359% helix, 3% strandP09144
CPhotosystem I iron-sulfur center (EC 1.97.1.12)protein8016% helix, 20% strandQ00914
DPhotosystem I reaction center subunit II, chloroplasticprotein14418% helix, 24% strandQ39615
EPhotosystem I reaction center subunit IV, chloroplasticprotein630% helix, 37% strandP12352
FPhotosystem I reaction center subunit III, chloroplasticprotein16567% helix, 5% strandP12356
GPhotosystem I reaction center subunit V, chloroplasticprotein7469% helix, 0% strandP14224
IPhotosystem I reaction center subunit VIIIprotein3768% helix, 3% strandA8IFG7
JPhotosystem I reaction center subunit IXprotein3974% helix, 3% strandP59777
KPhotosystem I reaction center subunit psak, chloroplasticprotein8450% helix, 8% strandP14225
LPsi subunit Vprotein12675% helix, 0% strandA8IL32
1, ZChlorophyll a-B binding protein, chloroplasticprotein19451% helix, 2% strandQ7DM26
3Chlorophyll a-B binding protein, chloroplasticprotein21951% helix, 1% strandQ75VY9
7Chlorophyll a-B binding protein, chloroplasticprotein21353% helix, 1% strandQ84Y02
8Chlorophyll a-B binding protein, chloroplasticprotein21753% helix, 0% strandQ75VY7
4Chlorophyll a-B binding protein, chloroplasticprotein21051% helix, 2% strandQ75VZ0
5Chlorophyll a-B binding protein, chloroplasticprotein22746% helix, 5% strandQ75VY8
6Chlorophyll a-B binding protein, chloroplasticprotein22945% helix, 5% strandQ75VY6

Ligands and binding sites

  • CLA · Chlorophyll A · ligand · 197 copies · chains A, B, J, 3, K, 7, L, F, I, G, 1, 8, Z, 4, 5, 6
  • BCR · Beta-carotene · ligand · 31 copies · chains A, B, G, F, J, I, K, L, 3, 5, 7, 8, 4, 6
  • CHL · Chlorophyll B · ligand · 20 copies · chains B, 1, 8, Z, 4, 3, 7, 5, 6
  • LUT · (3R,3'R,6S)-4,5-didehydro-5,6-dihydro-beta,beta-carotene-3,3'-diol · ligand · 17 copies · chains 1, Z, 3, 7, 8, 4, 5, 6
  • LHG · 1,2-dipalmitoyl-phosphatidyl-glycerole · ligand · 14 copies · chains A, B, 1, 8, Z, 3, 7, 4, 6, 5
  • 3PH · 1,2-diacyl-glycerol-3-sn-phosphate · ligand · 4 copies · chains 3, 7, 8, 5, 6
  • SF4 · Iron/sulfur cluster · ligand · 3 copies · chains A, B, C
  • NKP · (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate · ligand · 3 copies · chains A, 3, 8
  • C7Z · (1~{S})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E}, 9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(4~{S})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol · ligand · 3 copies · chains A, J, G, 1, 5, 6
  • SPH · Sphingosine · ligand · 3 copies · chains A, K, 3, 7, 4
  • PQN · Phylloquinone · ligand · 2 copies · chains A, J, B
  • LMG · 1,2-distearoyl-monogalactosyl-diglyceride · ligand · 2 copies · chains A, J, 7, F
  • CL0 · Chlorophyll A isomer · ligand · chains A, B
  • OCA · Octanoic acid (caprylic acid) · ligand
  • DAO · Lauric acid · ligand · chains K
  • DGA · Diacyl glycerol · ligand · chains A, 7
  • DGD · Digalactosyl diacyl glycerol (dgdg) · ligand · chains B, C, D
  • RRX · (3R)-beta,beta-caroten-3-ol · ligand · chains A, B, F
  • SQD · 1,2-di-O-acyl-3-O-[6-deoxy-6-sulfo-alpha-D-glucopyranosyl]-sn-glycerol · ligand · chains 1, 8
  • QTB · (3~{E},5~{E},7~{E})-6-methyl-8-[(6~{R})-2,2,6-trimethylcyclohexyl]octa-3,5,7-trien-2-one · ligand · chains Z
  • PLM · Palmitic acid · ligand · chains 7, 8
  • LPX · (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate · ligand · chains 8
  • CA · Calcium ion · metal · chains B
  • LMT · Dodecyl-beta-D-maltoside · additive · 7 copies · chains A, 3, B, 1, F, 8, G, 4

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
110170.830.8389CLA, DGD
25430.810.8663CL0, CLA
311990.750.77138CLA
44210.710.8250empty
56540.700.7886CLA, LHG

Interfaces

39 interfaces between chains.

  • A–B · 3519 Ų buried · 44 hydrogen bonds · protein-protein
  • C–D · 1625 Ų buried · 24 hydrogen bonds · protein-protein
  • B–F · 1120 Ų buried · 14 hydrogen bonds · protein-protein
  • A–F · 1099 Ų buried · 16 hydrogen bonds · protein-protein
  • B–D · 1023 Ų buried · 11 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 0.97
  • 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 0.96
  • 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
  • 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 0.91
  • 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

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