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Psii intermediate PSB28-RC47

Analyse Psii intermediate PSB28-RC47 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7DXA
Type
protein
Length
1,629 residues
Chains
14
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
Ligands
CLA, MGE, BCR, SQD, PHO, UNL, PQ9, DGD, HEM, FE2, CL
Pockets
20 · best druggability 0.84

Structure

electron microscopy · 14 distinct chains · 52% helix, 7% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APhotosystem II reaction center PSB28 proteinprotein10919% helix, 32% strandQ8DLJ8
BTSL0063 proteinprotein5056% helix, 4% strandQ8DMP8
aPhotosystem II protein D1protein29858% helix, 6% strandP51765
bPhotosystem II CP47 reaction center proteinprotein49446% helix, 11% strandD0VWR1
dPhotosystem II D2 proteinprotein33958% helix, 3% strandD0VWR8
eCytochrome B559 subunit alphaprotein6343% helix, 0% strandP12238
fCytochrome B559 subunit betaprotein2875% helix, 0% strandP12239
hPhotosystem II reaction center protein Hprotein6244% helix, 6% strandP19052
iPhotosystem II reaction center protein Iprotein2976% helix, 0% strandP12240
lPhotosystem II reaction center protein Lprotein3762% helix, 3% strandP12241
mPhotosystem II reaction center protein Mprotein3184% helix, 0% strandP12312
tPhotosystem II reaction center protein Tprotein3063% helix, 0% strandP12313
xPhotosystem II reaction center protein Xprotein3683% helix, 0% strandD0VWR4
CUnidentified transmembrane proteinprotein2365% helix, 0% strand—

Ligands and binding sites

  • CLA · Chlorophyll A · ligand · 22 copies · chains a, d, t, i, b, h, l, m, B, x
  • MGE · (1S)-2-(alpha-L-allopyranosyloxy)-1-[(tridecanoyloxy) methyl]ethyl palmitate · ligand · 7 copies · chains a, i, b, l, m, B, d, f, t
  • BCR · Beta-carotene · ligand · 6 copies · chains a, i, b, m, d, f, h, x
  • 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
  • DGD · Digalactosyl diacyl glycerol (dgdg) · ligand · chains b, d, h
  • HEM · Protoporphyrin IX containing Fe · ligand · chains e, f
  • FE2 · Fe (II) ion · metal · chains a, d
  • CL · Chloride ion · ion · chains a, d
  • LMT · Dodecyl-beta-D-maltoside · additive · 3 copies · chains b, m, a, d, 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, 17 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19930.840.84107MGE
210450.800.8198CLA, DGD
36810.800.8463CLA
49820.760.7881CL
52570.630.8033empty

Interfaces

38 interfaces between chains.

  • a–d · 4791 Ų buried · 40 hydrogen bonds · protein-protein
  • b–d · 2569 Ų buried · 26 hydrogen bonds · protein-protein
  • b–h · 1836 Ų buried · 25 hydrogen bonds · protein-protein
  • B–b · 1567 Ų buried · 9 hydrogen bonds · protein-protein
  • d–e · 1245 Ų buried · 12 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 covalent (covalent ligand).

Compared structures

  • 7DXA · PSII intermediate Psb28-RC47 · the same entry in another collection · chain m against m, TM-score 1.00

Analyse

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