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Structure of the tetrahydromethanopterin dependent formaldehyde- activating enzyme (fae) from methylobacterium extorquens AM1

Analyse Structure of the tetrahydromethanopterin dependent formaldehyde- activating… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1Y5Y
Type
protein
Length
797 residues
Chains
5
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Formaldehyde-activating enzyme fae
UniProt
Q9FA38
Ligands
NA, CA
Pockets
8 · best druggability 0.74

Structure

x-ray diffraction · 3 distinct chains · 43% helix, 25% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AFormaldehyde-activating enzyme faeprotein15942% helix, 25% strandQ9FA38
B, DFormaldehyde-activating enzyme faeprotein16143% helix, 25% strandQ9FA38
C, EFormaldehyde-activating enzyme faeprotein15844% helix, 25% strandQ9FA38

Ligands and binding sites

  • NA · Sodium ion · metal · 2 copies · chains C, E
  • CA · Calcium ion · metal · chains A, B, C, D, E

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14300.740.8472empty
21770.620.8421CA
33200.590.7736empty
43370.580.7638empty
53150.570.7640empty

Interfaces

5 interfaces between chains.

  • A–B · 1539 Ų buried · 17 hydrogen bonds · protein-protein
  • B–C · 1510 Ų buried · 16 hydrogen bonds · protein-protein
  • C–D · 1499 Ų buried · 19 hydrogen bonds · protein-protein
  • D–E · 1471 Ų buried · 15 hydrogen bonds · protein-protein
  • A–E · 1464 Ų buried · 17 hydrogen bonds · protein-protein

Compared structures

  • 1Y5Y · Structure of the tetrahydromethanopterin dependent formaldehyde-activating enzyme (Fae)… · the same entry in another collection · chain E against E, TM-score 1.00
  • Q9FA38 · AlphaFold monomer V2.0 prediction for 5,6,7,8-tetrahydromethanopterin hydro-lyase (Q9FA38) · a predicted model of the same protein · chain B against A, TM-score 0.99

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