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MolNFT v1 · #188239 · protein

Annealed structure of oxidized bovine cytochrome C oxidase with reduced metal centers induced by synchrotron X-ray exposure

7TII: “Annealed structure of oxidized bovine cytochrome C oxidase with reduced metal centers induced by synchrotron…”. X-ray diffraction, 13 ligands (PGV, CHD, TGL). MolNFT v1 #188239 on GenesisL1: 3D structure, binding sites and pockets…

PDB
7TII
Type
protein
Length
3,558 residues
Chains
26
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
P00396, P68530, P00415, P00423, P00426, P00428, P07471, P00429, P04038, P07470, P13183, P00430, P10175
Ligands
PGV, CHD, TGL, PEK, HEA, CDL, CUA, PSC, CU, MG, NA, ZN, OH

Structure

x-ray diffraction · 13 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A, N—protein514—P00396
B, O—protein227—P68530
C, P—protein259—P00415
D, Q—protein144—P00423
E, R—protein105—P00426
F, S—protein98—P00428
G, T—protein84—P07471
H, U—protein79—P00429
I, V—protein73—P04038
J, W—protein58—P07470
K, X—protein49—P13183
L, Y—protein46—P00430
M, Z—protein43—P10175

Ligands and binding sites

  • PGV · (1R)-2-{[{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy) phosphoryl]oxy}-1-[(palmitoyloxy)methyl]ethyl (11E)-octadec-11-enoate · ligand · 8 copies · chains A, C, D, K, M, H, N, P, G, U, Q, X, Z
  • CHD · Cholic acid · ligand · 8 copies · chains C, J, A, G, N, O, P, W, B, T
  • TGL · Tristearoylglycerol · ligand · 6 copies · chains A, B, I, D, L, N, O, V, Q, Y
  • PEK · (1S)-2-{[(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(stearoyloxy)methyl]ethyl (5E,8E,11E,14E)-icosa-5,8, 11,14-tetraenoate · ligand · 6 copies · chains A, C, G, F, N, O, P, T, B, S
  • HEA · Heme-A · ligand · 4 copies · chains A, B, N, O
  • CDL · Cardiolipin · ligand · 4 copies · chains C, J, G, N, O, P, W, A, B, T
  • CUA · Dinuclear copper ion · ligand · 2 copies · chains B, O
  • PSC · (7R,17E,20E)-4-hydroxy-N,N,N-trimethyl-9-oxo-7-[(palmitoyloxy)methyl]-3,5,8-trioxa-4-phosphahexacosa-17,20-dien-1-aminium 4-oxide · ligand · 2 copies · chains A, B, E, I, N, O, R, V
  • CU · Copper (II) ion · metal · 2 copies · chains A, N
  • MG · Magnesium ion · metal · 2 copies · chains A, B, N, O
  • NA · Sodium ion · metal · 2 copies · chains A, N
  • ZN · Zinc ion · metal · 2 copies · chains F, S
  • OH · Hydroxide ion · ion · 2 copies · chains A, N
  • EDO · 1,2-ethanediol · additive · 8 copies · chains A, C, F, G, N, Z, P, S, T
  • DMU · Decyl-beta-D-maltopyranoside · additive · 4 copies · chains A, C, J, D, M, N, P, W, Q, Z

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Compared structures

  • 7TII · Annealed structure of oxidized bovine cytochrome c oxidase with reduced metal centers… · the same entry in another collection · chain K against K, TM-score 1.00

Analyse

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