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MolNFT v1 · #181356 · protein

Crystal structure of the human neutralizing antibody Fab fragment T025 bound to tbev ediii (siberian subtype)

7LSG · T025 Fab heavy chain: “Crystal structure of the human neutralizing antibody Fab fragment T025 bound to tbev ediii (siberian subtype)”. X-ray diffraction, 2 pockets (best druggability 0.61). MolNFT v1 #181356 on GenesisL1: 3D…

PDB
7LSG
Type
protein
Length
522 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
T025 Fab heavy chain; T025 Fab light chain; Core protein
EC
3.4.21.91, 3.6.1.15, 3.6.4.13
UniProt
G8FGD9
Pockets
2 · best druggability 0.61

Structure

x-ray diffraction · 3 distinct chains · 6% helix, 52% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
HT025 Fab heavy chainprotein2168% helix, 50% strand—
LT025 Fab light chainprotein2126% helix, 50% strand—
CCore protein (EC 3.4.21.91, 3.6.1.15, 3.6.4.13)protein940% helix, 57% strandG8FGD9

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15310.610.7465empty
2940.340.7425empty

Interfaces

3 interfaces between chains.

  • H–L · 1740 Ų buried · 13 hydrogen bonds · protein-protein
  • H–C · 388 Ų buried · 10 hydrogen bonds · protein-protein
  • L–C · 304 Ų buried · 9 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 5 disulfide (disulfide).

Compared structures

  • 7LSG · Crystal structure of the human neutralizing antibody Fab fragment T025 bound to TBEV… · the same entry in another collection · chain H against H, TM-score 1.00

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