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MolNFT v1 · #118753 · protein

Complement factor D in complex with compound 3B

5FBI: “Complement factor D in complex with compound 3B”. X-ray diffraction, 1 ligand (5WD), 1 pocket (best druggability 0.38). MolNFT v1 #118753 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5FBI
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
5WD
Pockets
1 · best druggability 0.38

Structure

x-ray diffraction · 1 distinct chain · 9% helix, 36% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AComplement factor D (EC 3.4.21.46)protein2289% helix, 36% strandP00746

Ligands and binding sites

  • 5WD · 3-[(2-aminocarbonyl-1~{H}-indol-5-yl)oxymethyl]benzoic acid · ligand · chains A
  • GOL · Glycerol · additive · 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
1810.380.77225WD

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

  • 5FBI · COMPLEMENT FACTOR D IN COMPLEX WITH COMPOUND 3b · 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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