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MolNFT v1 · #56098 · protein

Crystal structure of a murine antibody Fab 528

2Z4Q · Anti EGFR antibody Fab, light chain: “Crystal structure of a murine antibody Fab 528”. X-ray diffraction, 2 ligands (CD, CL), 5 pockets (best druggability 0.64). MolNFT v1 #56098 on GenesisL1: 3D structure, binding sites and pockets…

PDB
2Z4Q
Type
protein
Length
437 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Anti EGFR antibody Fab, light chain; Anti EGFR antibody Fab, heavy chain
Ligands
CD, CL
Pockets
5 · best druggability 0.64

Structure

x-ray diffraction · 2 distinct chains · 6% helix, 51% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AAnti EGFR antibody Fab, light chainprotein2196% helix, 52% strand—
BAnti EGFR antibody Fab, heavy chainprotein2186% helix, 51% strand—

Ligands and binding sites

  • CD · Cadmium ion · metal · 2 copies · chains A, B
  • CL · Chloride ion · ion · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16800.640.7466empty
21260.430.7627empty
3980.380.7523empty
4740.330.7516empty
5770.300.7319empty

Interfaces

1 interface between chains.

  • A–B · 1923 Ų buried · 21 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 5 disulfide (disulfide).

Compared structures

  • 2Z4Q · Crystal structure of a murine antibody FAB 528 · the same entry in another collection · chain A against A, TM-score 1.00

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