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Bovine heart cytochrome C oxidase in azide-bound state

Analyse Bovine heart cytochrome C oxidase in azide-bound state in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1OCZ
Type
protein
Length
3,560 residues
Chains
26
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Cytochrome C oxidase
EC
1.9.3.1
UniProt
P00396, P68530, P00415, P00423, P00426, P00428, P07471, P00429, P04038, P07470, P13183, P00430, P10175
Ligands
HEA, CU, MG, NA, ZN, AZI
Pockets
20 · best druggability 0.91

Structure

x-ray diffraction · 13 distinct chains · 57% helix, 6% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, NCytochrome C oxidase (EC 1.9.3.1)protein51471% helix, 2% strandP00396
B, OCytochrome C oxidase (EC 1.9.3.1)protein22730% helix, 25% strandP68530
C, PCytochrome C oxidase (EC 1.9.3.1)protein26175% helix, 1% strandP00415
D, QCytochrome C oxidase (EC 1.9.3.1)protein14454% helix, 3% strandP00423
E, RCytochrome C oxidase (EC 1.9.3.1)protein10961% helix, 1% strandP00426
F, SCytochrome C oxidase (EC 1.9.3.1)protein9815% helix, 30% strandP00428
G, TCytochrome C oxidase (EC 1.9.3.1)protein8429% helix, 0% strandP07471
H, UCytochrome C oxidase (EC 1.9.3.1)protein7555% helix, 1% strandP00429
I, VCytochrome C oxidase (EC 1.9.3.1)protein7368% helix, 1% strandP04038
J, WCytochrome C oxidase (EC 1.9.3.1)protein5664% helix, 0% strandP07470
K, XCytochrome C oxidase (EC 1.9.3.1)protein4953% helix, 0% strandP13183
L, YCytochrome C oxidase (EC 1.9.3.1)protein4757% helix, 0% strandP00430
M, ZCytochrome C oxidase (EC 1.9.3.1)protein4367% helix, 5% strandP10175

Ligands and binding sites

  • HEA · Heme-A · ligand · 4 copies · chains A, B, N, O
  • CU · Copper (II) ion · metal · 6 copies · chains A, B, N, O
  • 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
  • AZI · Azide ion · ion · 4 copies · chains A, N

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
110790.910.94117AZI, HEA
210550.910.94116AZI, HEA
310350.850.8682empty
49490.850.8684empty
511350.830.84124empty

Interfaces

80 interfaces between chains.

  • A–B · 3498 Ų buried · 34 hydrogen bonds · protein-protein
  • N–O · 3495 Ų buried · 32 hydrogen bonds · protein-protein
  • A–C · 2730 Ų buried · 19 hydrogen bonds · protein-protein
  • N–P · 2724 Ų buried · 19 hydrogen bonds · protein-protein
  • A–L · 1748 Ų buried · 14 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

  • 1OCZ · Bovine heart cytochrome C oxidase in azide-bound state · the same entry in another collection · chain K against K, TM-score 1.00

Analyse

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