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MolNFT v1 · #140048 · protein

Structure of 6-aminohexanoate-oligomer hydrolase from arthrobacter sp. KI72.

5XYG · Endotype 6-aminohexanoat-oligomer hydrolase: “Structure of 6-aminohexanoate-oligomer hydrolase from arthrobacter sp. KI72.”. X-ray diffraction, 2 ligands (CL, SO4), 4 pockets (best druggability 0.73). MolNFT v1 #140048 on GenesisL1…

PDB
5XYG
Type
protein
Length
662 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Endotype 6-aminohexanoat-oligomer hydrolase
Ligands
CL, SO4
Pockets
4 · best druggability 0.73

Structure

x-ray diffraction · 2 distinct chains · 26% helix, 33% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AEndotype 6-aminohexanoat-oligomer hydrolaseprotein32326% helix, 35% strand—
BEndotype 6-aminohexanoat-oligomer hydrolaseprotein33926% helix, 32% strand—

Ligands and binding sites

  • CL · Chloride ion · ion · 5 copies · chains A, B
  • SO4 · Sulfate ion · ion · 3 copies · chains A, B
  • GOL · Glycerol · additive · 2 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17540.730.78101GOL, CL
21510.420.7525empty
3780.410.7921empty
4720.290.7218CL

Interfaces

1 interface between chains.

  • A–B · 1015 Ų buried · 12 hydrogen bonds · protein-protein

Compared structures

  • 5XYG · Structure of 6-aminohexanoate-oligomer hydrolase from Arthrobacter sp. KI72. · the same entry in another collection · chain A against A, TM-score 1.00

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