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MolNFT v1 · #187444 · protein

Crystal structure of Fab containing a fluorescent noncanonical amino acid with blocked excited state proton transfer

7SEN · 5C8* Fab heavy chain: “Crystal structure of Fab containing a fluorescent noncanonical amino acid with blocked excited state proton…”. X-ray diffraction, 3 pockets (best druggability 0.64). MolNFT v1 #187444 on GenesisL1: 3D…

PDB
7SEN
Type
protein
Length
436 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
5C8* Fab heavy chain; 5C8* Fab light chain
Pockets
3 · best druggability 0.64

Structure

x-ray diffraction · 2 distinct chains · 8% helix, 51% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
H5C8* Fab heavy chainprotein22110% helix, 49% strand—
L5C8* Fab light chainprotein2156% helix, 52% strand—

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16490.640.7564empty
2790.290.7219empty
3560.270.7314empty

Interfaces

1 interface between chains.

  • H–L · 1814 Ų buried · 19 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide, 2 modified (disulfide, cyclization, nonstandard).

Compared structures

  • 7SEN · Crystal structure of Fab containing a fluorescent noncanonical amino acid with blocked… · the same entry in another collection · chain H against H, TM-score 1.00

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