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MolNFT v1 · #120090 · protein

Structure of a 16-mer protein nanocage fabricated from its 24-mer analogue by subunit interface redesign

5GOU · Ferritin heavy chain: “Structure of a 16-mer protein nanocage fabricated from its 24-mer analogue by subunit interface redesign”. X-ray diffraction, 20 pockets (best druggability 0.76). MolNFT v1 #120090 on GenesisL1: 3D structure…

PDB
5GOU
Type
protein
Length
2,225 residues
Chains
16
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ferritin heavy chain
EC
1.16.3.1
UniProt
P02794
Pockets
20 · best druggability 0.76

Structure

x-ray diffraction · 13 distinct chains · 69% helix, 1% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AFerritin heavy chain (EC 1.16.3.1)protein14169% helix, 1% strandP02794
B, DFerritin heavy chain (EC 1.16.3.1)protein13164% helix, 1% strandP02794
CFerritin heavy chain (EC 1.16.3.1)protein14870% helix, 1% strandP02794
FFerritin heavy chain (EC 1.16.3.1)protein15272% helix, 1% strandP02794
EFerritin heavy chain (EC 1.16.3.1)protein13266% helix, 1% strandP02794
HFerritin heavy chain (EC 1.16.3.1)protein14570% helix, 1% strandP02794
GFerritin heavy chain (EC 1.16.3.1)protein13465% helix, 1% strandP02794
JFerritin heavy chain (EC 1.16.3.1)protein14671% helix, 1% strandP02794
I, KFerritin heavy chain (EC 1.16.3.1)protein13368% helix, 1% strandP02794
LFerritin heavy chain (EC 1.16.3.1)protein14668% helix, 1% strandP02794
NFerritin heavy chain (EC 1.16.3.1)protein14470% helix, 1% strandP02794
M, OFerritin heavy chain (EC 1.16.3.1)protein13371% helix, 1% strandP02794
PFerritin heavy chain (EC 1.16.3.1)protein14372% helix, 1% strandP02794

Pockets

20 pockets found on a 1 Å grid, 19 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1680.760.9915empty
2630.750.9915empty
3560.730.9915empty
4600.730.9815empty
5520.720.9914empty

Interfaces

32 interfaces between chains.

  • F–E · 1522 Ų buried · 22 hydrogen bonds · protein-protein
  • H–G · 1519 Ų buried · 25 hydrogen bonds · protein-protein
  • N–M · 1515 Ų buried · 26 hydrogen bonds · protein-protein
  • P–O · 1496 Ų buried · 20 hydrogen bonds · protein-protein
  • J–I · 1491 Ų buried · 25 hydrogen bonds · protein-protein

Compared structures

  • 5GOU · Structure of a 16-mer protein nanocage fabricated from its 24-mer analogue by subunit… · the same entry in another collection · chain J against J, TM-score 1.00

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