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MolNFT v1 · #68619 · protein

Crystal structure of fancl

3K1L: “Crystal structure of fancl”. X-ray diffraction, 3 ligands (GLC, AU, ZN), 10 pockets (best druggability 0.78). MolNFT v1 #68619 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
3K1L
Type
protein
Length
740 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Fancl
EC
6.3.2.19
UniProt
Q8T913
Ligands
GLC, AU, ZN
Pockets
10 · best druggability 0.78

Structure

x-ray diffraction · 2 distinct chains · 30% helix, 24% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
BFancl (EC 6.3.2.19)protein36430% helix, 24% strandQ8T913
AFancl (EC 6.3.2.19)protein37631% helix, 23% strandQ8T913

Ligands and binding sites

  • GLC · alpha-D-glucopyranose · sugar · 4 copies · chains B, A
  • AU · Gold ion · metal · 13 copies · chains B, A
  • ZN · Zinc ion · metal · 4 copies · chains B, A
  • CIT · Citric acid · additive · 3 copies · chains B, A

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

Pockets

10 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111470.780.80114empty
210590.730.7698empty
3990.470.8025empty
4960.450.8018empty
51160.450.7822empty

Interfaces

1 interface between chains.

  • B–A · 2652 Ų buried · 23 hydrogen bonds · protein-protein

Compared structures

  • 3K1L · Crystal Structure of FANCL · the same entry in another collection · chain B against B, TM-score 1.00

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