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MolNFT v1 · #148638 · protein

Crystal structure of an endo-laminarinase from formosa HEL1_33_131

6FCG · Glycoside hydrolase, GH17 family: “Crystal structure of an endo-laminarinase from formosa HEL1_33_131”. X-ray diffraction, 1 ligand (CA), 18 pockets (best druggability 0.80). MolNFT v1 #148638 on GenesisL1: 3D structure, binding…

PDB
6FCG
Type
protein
Length
2,358 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Glycoside hydrolase, GH17 family
UniProt
A0A1D7Y259
Ligands
CA
Pockets
18 · best druggability 0.80

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, D, E, FGlycoside hydrolase, GH17 familyprotein39341% helix, 15% strandA0A1D7Y259

Ligands and binding sites

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

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

Pockets

18 pockets found on a 1 Å grid, 13 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18450.800.8292empty
210370.790.8192empty
37880.790.8289empty
48000.790.8284empty
56170.710.7960empty

Interfaces

9 interfaces between chains.

  • C–D · 1007 Ų buried · 15 hydrogen bonds · protein-protein
  • B–F · 986 Ų buried · 17 hydrogen bonds · protein-protein
  • E–F · 971 Ų buried · 13 hydrogen bonds · protein-protein
  • B–E · 961 Ų buried · 13 hydrogen bonds · protein-protein
  • A–C · 961 Ų buried · 13 hydrogen bonds · protein-protein

Compared structures

  • 6FCG · Crystal structure of an endo-laminarinase from Formosa Hel1_33_131 · the same entry in another collection · chain A against A, TM-score 1.00

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