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Psii-lhcii C2S2 supercomplex from pisum sativum grown in high light conditions

Analyse Psii-lhcii C2S2 supercomplex from pisum sativum grown in high light conditions in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6YP7
Type
protein
Length
7,002 residues
Chains
44
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Chlorophyll a-B binding protein 8, chloroplastic; Photosystem II protein D1; Photosystem…
EC
1.10.3.9
UniProt
P27490, P06585, Q9XQR6, P06004, P06006, P13554, P62096, Q9XQR3, D5MAJ9, P13555, D5MAJ8, P60147, P69529, P14226, Q8HS25, A0A2D0TCJ2, Q8VYY1, Q32902
Ligands
CLA, CHL, LHG, BCR, LMG, LUT, DGD, XAT, SQD, NEX, PHO, PL9, OEX, BCT, HEM, FE2…
Pockets
20 · best druggability 0.86

Structure

electron microscopy · 20 distinct chains · 52% helix, 7% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
g, n, y, G, N, YChlorophyll a-B binding protein 8, chloroplasticprotein21956% helix, 1% strandP27490
a, APhotosystem II protein D1 (EC 1.10.3.9)protein33457% helix, 4% strandP06585
b, BPhotosystem II CP47 reaction center proteinprotein50347% helix, 10% strandQ9XQR6
c, CPhotosystem II CP43 reaction center proteinprotein45055% helix, 5% strandP06004
d, DPhotosystem II D2 protein (EC 1.10.3.9)protein34162% helix, 2% strandP06006
e, ECytochrome B559 subunit alphaprotein7560% helix, 0% strandP13554
f, FCytochrome B559 subunit betaprotein3080% helix, 0% strandP62096
h, HPhotosystem II reaction center protein Hprotein6053% helix, 5% strandQ9XQR3
i, IPhotosystem II reaction center protein Iprotein3468% helix, 0% strandD5MAJ9
j, JPhotosystem II reaction center protein Jprotein3563% helix, 0% strandP13555
k, KPhotosystem II reaction center protein Kprotein3776% helix, 0% strandD5MAJ8
l, LPhotosystem II reaction center protein Lprotein3762% helix, 3% strandP60147
m, MPhotosystem II reaction center protein Mprotein3382% helix, 0% strandP69529
o, OOxygen-evolving enhancer protein 1, chloroplasticprotein2489% helix, 42% strandP14226
t, TPhotosystem II reaction center protein Tprotein3266% helix, 0% strandQ8HS25
w, WPhotosystem II reaction center protein Wprotein5448% helix, 0% strandA0A2D0TCJ2
x, XUltraviolet-B-repressible proteinprotein3977% helix, 0% strandQ8VYY1
z, ZPhotosystem II reaction center protein Zprotein6287% helix, 0% strandQ32902
r, RLight harvesting chlorophyll A/B-binding protein LHCB4.3protein22248% helix, 4% strand—
s, SLight harvesting chlorophyll A/B-binding protein LHCB5, CP26protein21846% helix, 1% strand—

Ligands and binding sites

  • CLA · Chlorophyll A · ligand · 150 copies · chains g, y, n, w, G, Y, N, W, a, d, i, b, h, l, m, c, s, k, z, x, A, D, I, B, X, H, L, M, C, S, K, Z, r, R
  • CHL · Chlorophyll B · ligand · 48 copies · chains g, y, n, s, R, G, Y, N, S, r
  • LHG · 1,2-dipalmitoyl-phosphatidyl-glycerole · ligand · 26 copies · chains g, n, y, G, N, Y, b, r, c, s, w, a, d, l, t, m, B, C, S, W, A, D, L, T, M, R
  • BCR · Beta-carotene · ligand · 22 copies · chains a, i, b, m, T, c, k, z, s, d, f, j, h, x, A, I, t, B, M, C, Z, S, D, F, J, H, X, K
  • LMG · 1,2-distearoyl-monogalactosyl-diglyceride · ligand · 14 copies · chains b, r, c, z, s, d, f, j, k, a, i, w, B, R, A, C, I, W, Z, S, D, F, J, K, t, L, M, l, m, T
  • LUT · (3R,3'R,6S)-4,5-didehydro-5,6-dihydro-beta,beta-carotene-3,3'-diol · ligand · 12 copies · chains g, n, y, G, N, Y, r, R
  • DGD · Digalactosyl diacyl glycerol (dgdg) · ligand · 10 copies · chains a, o, B, c, j, d, b, h, A, O, C, J, D, H
  • 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 · 8 copies · chains g, y, n, G, Y, N, r, R
  • SQD · 1,2-di-O-acyl-3-O-[6-deoxy-6-sulfo-alpha-D-glucopyranosyl]-sn-glycerol · ligand · 8 copies · chains a, B, c, d, k, l, m, M, t, b, A, T, C, D, K, L
  • 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 · 7 copies · chains g, n, y, R, N, Y, r
  • PHO · Pheophytin A · ligand · 4 copies · chains a, d, A, D
  • PL9 · 2,3-dimethyl-5-(3,7,11,15,19,23,27,31,35-nonamethyl-2, 6,10,14,18,22,26,30,34-hexatriacontanonaenyl-2,5-cyclohexadiene-1,4-dione-2,3-dimethyl-5-solanesyl-1,4-benzoquinone · ligand · 4 copies · chains a, d, l, t, A, D, L, T
  • OEX · Ca-MN4-O5 cluster · ligand · 2 copies · chains a, c, A, C
  • BCT · Bicarbonate ion · ligand · 2 copies · chains a, d, A, D
  • HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains e, f, E, F
  • FE2 · Fe (II) ion · metal · 2 copies · chains a, A
  • CL · Chloride ion · ion · 4 copies · chains a, d, c, A, D, C

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
16770.860.9088empty
26960.850.89104empty
35700.850.9074empty
47170.850.8890empty
53240.850.9449OEX, CL

Interfaces

132 interfaces between chains.

  • A–D · 5167 Ų buried · 46 hydrogen bonds · protein-protein
  • a–d · 5141 Ų buried · 42 hydrogen bonds · protein-protein
  • A–C · 2927 Ų buried · 22 hydrogen bonds · protein-protein
  • a–c · 2891 Ų buried · 20 hydrogen bonds · protein-protein
  • b–d · 2820 Ų buried · 19 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 85 covalent, 2 cofactor (covalent ligand, heme attachment).

Compared structures

  • 6YP7 · PSII-LHCII C2S2 supercomplex from Pisum sativum grown in high light conditions · the same entry in another collection · chain y against y, TM-score 1.00

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