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MolNFT v1 · #138952 · protein

12:0-acp thioesterase from umbellularia californica

5X04 · Dodecanoyl-[acyl-carrier-protein] hydrolase, chloroplastic: “12:0-acp thioesterase from umbellularia californica”. X-ray diffraction, 8 pockets (best druggability 0.83). MolNFT v1 #138952 on GenesisL1: 3D structure, binding sites…

PDB
5X04
Type
protein
Length
536 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Dodecanoyl-[acyl-carrier-protein] hydrolase, chloroplastic
EC
3.1.2.21
UniProt
Q41635
Pockets
8 · best druggability 0.83

Structure

x-ray diffraction · 2 distinct chains · 23% helix, 39% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADodecanoyl-[acyl-carrier-protein] hydrolase, chloroplastic (EC 3.1.2.21)protein27623% helix, 37% strandQ41635
BDodecanoyl-[acyl-carrier-protein] hydrolase, chloroplastic (EC 3.1.2.21)protein26022% helix, 41% strandQ41635

Pockets

8 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13870.830.9242empty
23030.810.9241empty
31550.730.9029empty
41130.710.9222empty
5750.590.8914empty

Interfaces

1 interface between chains.

  • A–B · 1600 Ų buried · 24 hydrogen bonds · protein-protein

Compared structures

  • 5X04 · 12:0-ACP thioesterase from Umbellularia californica · the same entry in another collection · chain A against A, TM-score 1.00
  • Q41635 · AlphaFold monomer V2.0 prediction for dodecanoyl-[acyl-carrier- protein] hydrolase… · a predicted model of the same protein · chain B against A, TM-score 0.99

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