GL1X · GenesisL1 explorer

MolNFT v1 · #149219 · protein

Complement factor D complexed with compound 6

6FTZ: “Complement factor D complexed with compound 6”. X-ray diffraction, 1 ligand (E7E), 1 pocket (best druggability 0.50). MolNFT v1 #149219 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6FTZ
Type
protein
Length
228 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Complement factor D
EC
3.4.21.46
UniProt
P00746
Ligands
E7E
Pockets
1 · best druggability 0.50

Structure

x-ray diffraction · 1 distinct chain · 8% helix, 35% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AComplement factor D (EC 3.4.21.46)protein2288% helix, 35% strandP00746

Ligands and binding sites

  • E7E · ~{N}4-[3-(aminomethyl)phenyl]-1~{H}-indole-2,4-dicarboxamide · ligand · chains A

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

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11530.500.7932E7E

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

  • 6FTZ · Complement factor D complexed with compound 6 · the same entry in another collection · chain A against A, TM-score 1.00
  • P00746 · AlphaFold monomer V2.0 prediction for complement factor D (P00746) · a predicted model of the same protein · chain A against A, TM-score 0.99

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