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Red alga C.MEROLAE photosystem I

Analyse Red alga C.MEROLAE photosystem I in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7BLZ
Type
protein
Length
2,817 residues
Chains
15
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Similar to light harvesting protein; Similar to chlorophyll A/B-binding protein, CP24…
EC
1.97.1.12
UniProt
M1VKK5, M1UU36, Q85FY7, Q85FY6, Q85G47, Q85FY0, Q85FZ1, A0A5P9RU83, Q85FQ6, A0A5P9RTH6, Q85G51, Q85FP8, Q85G73, M1VFJ4
Ligands
CLA, BCR, C7Z, LHG, RRX, PTY, ERG, SF4, 3PH, DGD, PGT, DGA, LMU, PQN, CL0, T7X…
Pockets
20 · best druggability 0.84

Structure

electron microscopy · 15 distinct chains · 56% helix, 5% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
1Similar to light harvesting proteinprotein17346% helix, 0% strandM1VKK5
2Similar to chlorophyll A/B-binding protein, CP24protein17953% helix, 0% strandM1UU36
3LHCR3protein17456% helix, 0% strand—
APhotosystem I P700 chlorophyll a apoprotein A1 (EC 1.97.1.12)protein74361% helix, 5% strandQ85FY7
BPhotosystem I P700 chlorophyll a apoprotein A2 (EC 1.97.1.12)protein73161% helix, 2% strandQ85FY6
CPhotosystem I iron-sulfur center (EC 1.97.1.12)protein8016% helix, 21% strandQ85G47
DPhotosystem I P700 chlorophyll a apoprotein A2protein13818% helix, 26% strandQ85FY0
EPhotosystem I iron-sulfur center subunit VIIprotein615% helix, 34% strandQ85FZ1
FPsi-Fprotein15559% helix, 5% strandA0A5P9RU83
IPhotosystem I reaction center subunit VIIIprotein3187% helix, 0% strandQ85FQ6
JPhotosystem I reaction center subunit IXprotein3871% helix, 3% strandA0A5P9RTH6
KPsi-Kprotein5485% helix, 0% strandQ85G51
LPhotosystem I reaction center subunit XIprotein13662% helix, 4% strandQ85FP8
MPhotosystem I reaction center subunit XIIprotein2789% helix, 0% strandQ85G73
OPsaoprotein9758% helix, 5% strandM1VFJ4

Ligands and binding sites

  • CLA · Chlorophyll A · ligand · 132 copies · chains 1, 2, F, J, 3, A, K, B, O, L, I, M
  • BCR · Beta-carotene · ligand · 22 copies · chains 2, 3, A, O, K, B, I, M, F, J, L
  • 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 · 13 copies · chains 1, 2, 3, A, J
  • LHG · 1,2-dipalmitoyl-phosphatidyl-glycerole · ligand · 6 copies · chains 1, 2, 3, A, B
  • RRX · (3R)-beta,beta-caroten-3-ol · ligand · 5 copies · chains 1, 2, A, B, J, 3, K
  • PTY · Phosphatidylethanolamine · ligand · 4 copies · chains 3, A, O, L
  • ERG · Ergosterol · ligand · 3 copies · chains 1, 2, J, 3, A
  • SF4 · Iron/sulfur cluster · ligand · 3 copies · chains A, B, C
  • 3PH · 1,2-diacyl-glycerol-3-sn-phosphate · ligand · 3 copies · chains 2, A, J, B, 1, F
  • DGD · Digalactosyl diacyl glycerol (dgdg) · ligand · 3 copies · chains B, C, I, L, M
  • PGT · (1S)-2-{[{[(2R)-2,3-dihydroxypropyl]oxy}(hydroxy) phosphoryl]oxy}-1-[(palmitoyloxy)methyl]ethyl stearate · ligand · 2 copies · chains 2, 3, B
  • DGA · Diacyl glycerol · ligand · 2 copies · chains 2, A, 1, J
  • LMU · Dodecyl-alpha-D-maltoside · ligand · 2 copies · chains 2, 3, A, J
  • PQN · Phylloquinone · ligand · 2 copies · chains A, J, B
  • CL0 · Chlorophyll A isomer · ligand · chains A, B
  • T7X · Phosphatidylinositol · ligand · chains A, L
  • CA · Calcium ion · metal · 2 copies · 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
17930.840.8672CL0, CLA
28990.780.8177CLA, DGD
33310.760.8640CLA
411810.710.75105CLA, LHG
56790.710.7760CLA

Interfaces

33 interfaces between chains.

  • A–B · 3520 Ų buried · 36 hydrogen bonds · protein-protein
  • C–D · 1600 Ų buried · 25 hydrogen bonds · protein-protein
  • B–F · 1086 Ų buried · 19 hydrogen bonds · protein-protein
  • A–F · 1073 Ų buried · 12 hydrogen bonds · protein-protein
  • A–D · 879 Ų buried · 19 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 7BLZ · Red alga C.merolae Photosystem I · the same entry in another collection · chain O against O, TM-score 1.00

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