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MolNFT v1 · #103872 · protein

Crystal structure of anti-23F strep Fab C05 with rhamnose

4PTU · Antibody PN132P2C05, light chain: “Crystal structure of anti-23F strep Fab C05 with rhamnose”. X-ray diffraction, 1 ligand (RAM), 2 pockets (best druggability 0.49). MolNFT v1 #103872 on GenesisL1: 3D structure, binding sites and…

PDB
4PTU
Type
protein
Length
430 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Antibody PN132P2C05, light chain; Antibody PN132P2C05, heavy chain
Ligands
RAM
Pockets
2 · best druggability 0.49

Structure

x-ray diffraction · 2 distinct chains · 7% helix, 51% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AAntibody PN132P2C05, light chainprotein2126% helix, 50% strand—
BAntibody PN132P2C05, heavy chainprotein2188% helix, 51% strand—

Ligands and binding sites

  • RAM · alpha-L-rhamnopyranose · sugar · chains A, B
  • ACT · Acetate ion · additive · 2 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12440.490.7434ACT
2650.320.7517RAM

Interfaces

1 interface between chains.

  • A–B · 1903 Ų buried · 16 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 5 disulfide (disulfide).

Compared structures

  • 4PTU · Crystal Structure of anti-23F strep Fab C05 with rhamnose · the same entry in another collection · chain A against A, TM-score 1.00

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