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Cryo-EM structure of psii intermediate PSB28-psii complex

Analyse Cryo-EM structure of psii intermediate PSB28-psii complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7DXH
Type
protein
Length
2,150 residues
Chains
18
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Photosystem II reaction center PSB28 protein; TSL0063 protein; Photosystem II protein D1…
UniProt
Q8DLJ8, Q8DMP8, P51765, D0VWR1, D0VWR8, P12238, P12239, P19052, P12240, P12241, P12312, P12313, D0VWR4, D0VWR7, Q9F1K9, D0VWR5, D0VWR3
Ligands
CLA, BCR, MGE, DGD, SQD, PHO, UNL, PQ9, HEM, FE2, CL
Pockets
20 · best druggability 0.83

Structure

electron microscopy · 18 distinct chains · 51% helix, 6% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APhotosystem II reaction center PSB28 proteinprotein10919% helix, 32% strandQ8DLJ8
BTSL0063 proteinprotein4856% helix, 4% strandQ8DMP8
aPhotosystem II protein D1protein29759% helix, 4% strandP51765
bPhotosystem II CP47 reaction center proteinprotein49445% helix, 10% strandD0VWR1
dPhotosystem II D2 proteinprotein33959% helix, 2% strandD0VWR8
eCytochrome B559 subunit alphaprotein6338% helix, 0% strandP12238
fCytochrome B559 subunit betaprotein2861% helix, 0% strandP12239
hPhotosystem II reaction center protein Hprotein6244% helix, 10% strandP19052
iPhotosystem II reaction center protein Iprotein2979% helix, 0% strandP12240
lPhotosystem II reaction center protein Lprotein3762% helix, 3% strandP12241
mPhotosystem II reaction center protein Mprotein3168% helix, 0% strandP12312
tPhotosystem II reaction center protein Tprotein2778% helix, 0% strandP12313
xPhotosystem II reaction center protein Xprotein3683% helix, 0% strandD0VWR4
cPhotosystem II CP43 reaction center proteinprotein40347% helix, 3% strandD0VWR7
kPhotosystem II reaction center protein Kprotein3447% helix, 0% strandQ9F1K9
zPhotosystem II reaction center protein Zprotein6240% helix, 0% strandD0VWR5
yPhotosystem II reaction center protein YCF12protein2839% helix, 0% strandD0VWR3
CUnidentified transmembrane proteinprotein2378% helix, 0% strand—

Ligands and binding sites

  • CLA · Chlorophyll A · ligand · 34 copies · chains a, d, t, i, b, h, l, m, B, x, c, k, z
  • BCR · Beta-carotene · ligand · 9 copies · chains a, i, b, m, d, f, h, x, c, k, z
  • MGE · (1S)-2-(alpha-L-allopyranosyloxy)-1-[(tridecanoyloxy) methyl]ethyl palmitate · ligand · 7 copies · chains B, b, d, l, m, a, t, f, i, c
  • DGD · Digalactosyl diacyl glycerol (dgdg) · ligand · 4 copies · chains a, d, c, b, h
  • SQD · 1,2-di-O-acyl-3-O-[6-deoxy-6-sulfo-alpha-D-glucopyranosyl]-sn-glycerol · ligand · 2 copies · chains a, t, l, m
  • PHO · Pheophytin A · ligand · 2 copies · chains a, d
  • UNL · Unknown ligand · ligand · 2 copies · chains b, d, h, x
  • PQ9 · 5-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenyl]-2,3-dimethylbenzo-1,4-quinone · ligand · chains a, d, l
  • HEM · Protoporphyrin IX containing Fe · ligand · chains e, f
  • FE2 · Fe (II) ion · metal · chains a, d
  • CL · Chloride ion · ion · 2 copies · chains a, d, c
  • LMT · Dodecyl-beta-D-maltoside · additive · 3 copies · chains a, d, b, m, t
  • HTG · heptyl 1-thio-beta-D-glucopyranoside · additive · chains d, h

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
19520.830.8472BCR, CLA
29930.810.8262CLA
311570.810.82113CLA, DGD
411490.780.80114CL
511830.770.79106CLA, DGD

Interfaces

44 interfaces between chains.

  • a–d · 4738 Ų buried · 33 hydrogen bonds · protein-protein
  • b–d · 2554 Ų buried · 26 hydrogen bonds · protein-protein
  • b–h · 1829 Ų buried · 23 hydrogen bonds · protein-protein
  • B–b · 1581 Ų buried · 7 hydrogen bonds · protein-protein
  • a–c · 1579 Ų buried · 14 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 9 covalent (covalent ligand).

Compared structures

  • 7DXH · Cryo-EM structure of PSII intermediate Psb28-PSII complex · the same entry in another collection · chain m against m, TM-score 1.00

Analyse

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