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MolNFT v1 · #111005 · protein

Crystal structure of oxidized homoserine dehydrogenase of sulfolobus tokodaii

4YDR: “Crystal structure of oxidized homoserine dehydrogenase of sulfolobus tokodaii”. X-ray diffraction, 1 ligand (NA), 5 pockets (best druggability 0.63). MolNFT v1 #111005 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
4YDR
Type
protein
Length
604 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Homoserine dehydrogenase
EC
1.1.1.3
UniProt
F9VNG5
Ligands
NA
Pockets
5 · best druggability 0.63

Structure

x-ray diffraction · 2 distinct chains · 38% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHomoserine dehydrogenase (EC 1.1.1.3)protein30438% helix, 21% strandF9VNG5
BHomoserine dehydrogenase (EC 1.1.1.3)protein30038% helix, 22% strandF9VNG5

Ligands and binding sites

  • NA · Sodium ion · metal · 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, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15000.630.7659empty
24270.630.7735empty
32890.530.7537empty
4710.300.7421empty
5540.260.7316empty

Interfaces

1 interface between chains.

  • A–B · 1468 Ų buried · 24 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 4YDR · Crystal structure of oxidized homoserine dehydrogenase of Sulfolobus tokodaii · the same entry in another collection · chain A against A, TM-score 1.00

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