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MolNFT v1 · #141890 · protein

Crystal structure of the Fab region of a neutralizing fully human antibody against gm-csf

5ZMJ · Heavy chain of a Fab fraction of human IgG: “Crystal structure of the Fab region of a neutralizing fully human antibody against gm-csf”. X-ray diffraction, 2 ligands (NA, SO4), 3 pockets (best druggability 0.72). MolNFT v1 #141890…

PDB
5ZMJ
Type
protein
Length
438 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Heavy chain of a Fab fraction of human IgG; Light chain of a Fab fraction of human IgG
Ligands
NA, SO4
Pockets
3 · best druggability 0.72

Structure

x-ray diffraction · 2 distinct chains · 9% helix, 49% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
HHeavy chain of a Fab fraction of human IgGprotein2279% helix, 48% strand—
LLight chain of a Fab fraction of human IgGprotein2118% helix, 50% strand—

Ligands and binding sites

  • NA · Sodium ion · metal · 4 copies · chains H, L
  • SO4 · Sulfate ion · ion · 6 copies · chains H, L

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19520.720.7681NA
2860.430.8019empty
3960.360.7419empty

Interfaces

1 interface between chains.

  • H–L · 2157 Ų buried · 24 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

  • 5ZMJ · Crystal structure of the Fab region of a neutralizing fully human antibody against GM-CSF · the same entry in another collection · chain H against H, TM-score 1.00

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