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MolNFT v1 · #142585 · protein

Crystal structure of a apo form cyclase from fischerella sp.

6A8X · Aromatic prenyltransferase: “Crystal structure of a apo form cyclase from fischerella sp.”. X-ray diffraction, 1 ligand (CA), 6 pockets (best druggability 0.74). MolNFT v1 #142585 on GenesisL1: 3D structure, binding sites and…

PDB
6A8X
Type
protein
Length
406 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Aromatic prenyltransferase
UniProt
A0A1L1VVY8
Ligands
CA
Pockets
6 · best druggability 0.74

Structure

x-ray diffraction · 1 distinct chain · 0% helix, 43% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BAromatic prenyltransferaseprotein2030% helix, 43% strandA0A1L1VVY8

Ligands and binding sites

  • CA · Calcium ion · metal · 4 copies · chains A, B

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

Pockets

6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12590.740.8727empty
22250.730.8830empty
31170.680.9029empty
41140.670.9026empty
51970.440.7432empty

Interfaces

1 interface between chains.

  • A–B · 1137 Ų buried · 13 hydrogen bonds · protein-protein

Compared structures

  • 6A8X · Crystal structure of a apo form cyclase from Fischerella sp. · the same entry in another collection · chain A against A, TM-score 1.00

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