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NH3-bound rt xfel structure of photosystem II 500 ms after the 2ND illumination (2F) at 2.8 a resolution

Analyse NH3-bound rt xfel structure of photosystem II 500 ms after the 2ND illumination… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5KAI
Type
protein
Length
5,316 residues
Chains
40
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
P0A444, Q8DIQ1, Q8DIF8, Q8CM25, Q8DIP0, Q8DIN9, Q8DJ43, Q8DJZ6, P59087, Q9F1K9, Q8DIN8, Q8DHA7, P0A431, Q8DIQ0, Q9F1L5, P0A386, Q8DJI1, Q9F1R6, Q8DHJ2, Q8DKM3
Ligands
CLA, UNL, BCR, LMG, LHG, SQD, DGD, PHO, PL9, OEX, BCT, HEM, HEC, FE2, CL

Structure

x-ray diffraction · 22 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A, a—protein334—P0A444
B, b—protein504—Q8DIQ1
C, c—protein451—Q8DIF8
D, d—protein341—Q8CM25
E—protein81—Q8DIP0
F, f—protein34—Q8DIN9
H, h—protein63—Q8DJ43
I, i—protein36—Q8DJZ6
J, j—protein36—P59087
K, k—protein37—Q9F1K9
L, l—protein37—Q8DIN8
M, m—protein33—Q8DHA7
O, o—protein244—P0A431
T, t—protein30—Q8DIQ0
U, u—protein97—Q9F1L5
V, v—protein137—P0A386
Y—protein27—Q8DJI1
X, x—protein38—Q9F1R6
Z, z—protein62—Q8DHJ2
R, r—protein34—Q8DKM3
e—protein82—Q8DIP0
y—protein30—Q8DJI1

Ligands and binding sites

  • CLA · Chlorophyll A · ligand · 70 copies · chains A, D, T, I, B, H, L, M, t, C, K, Y, Z, X, a, d, i, b, h, l, m, c, k, y, z, x
  • UNL · Unknown ligand · ligand · 23 copies · chains A, B, D, a, H, I, M, b, h, T, m, d, x, i, j, t, c, z
  • BCR · Beta-carotene · ligand · 22 copies · chains A, I, B, M, t, C, K, Z, D, F, J, H, X, Y, a, i, T, b, m, c, k, z, d, f, j, h, y
  • LMG · 1,2-distearoyl-monogalactosyl-diglyceride · ligand · 16 copies · chains A, T, b, B, C, I, K, Y, D, F, J, L, M, a, t, c, i, l, m, k, y, d, f, j
  • LHG · 1,2-dipalmitoyl-phosphatidyl-glycerole · ligand · 10 copies · chains A, B, D, M, L, T, C, E, a, c, d, b, l, m, t, e
  • SQD · 1,2-di-O-acyl-3-O-[6-deoxy-6-sulfo-alpha-D-glucopyranosyl]-sn-glycerol · ligand · 9 copies · chains A, C, D, K, O, b, B, H, L, l, m, t, E, F, X, R, I, a, c, d, k, M, T, e, f, x, r
  • DGD · Digalactosyl diacyl glycerol (dgdg) · ligand · 8 copies · chains A, C, J, V, B, D, H, a, c, j, d, v, b, h
  • 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, F, X, L, T, a, d, f, x, 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, R, e, f, r
  • HEC · Heme C · ligand · 2 copies · chains V, v
  • FE2 · Fe (II) ion · metal · 2 copies · chains A, D, a, d
  • 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.

Compared structures

  • 5KAI · NH3-bound RT XFEL structure of Photosystem II 500 ms after the 2nd illumination (2F) at… · the same entry in another collection · chain K against K, TM-score 1.00

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