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MolNFT v1 · #127061 · protein

Plantago major multifunctional oxidoreductase in complex with 8- oxogeranial and NADP+

5MLH · Progesterone 5-beta-reductase: “Plantago major multifunctional oxidoreductase in complex with 8- oxogeranial and NADP+”. X-ray diffraction, 4 ligands (XOG, NAP, NA), 1 pocket (best druggability 0.83). MolNFT v1 #127061 on GenesisL1…

PDB
5MLH
Type
protein
Length
364 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Progesterone 5-beta-reductase
EC
1.1.1.145
UniProt
D6N9X1
Ligands
XOG, NAP, NA, CA
Pockets
1 · best druggability 0.83

Structure

x-ray diffraction · 1 distinct chain · 42% helix, 13% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AProgesterone 5-beta-reductase (EC 1.1.1.145)protein36442% helix, 13% strandD6N9X1

Ligands and binding sites

  • XOG · (2E,6E)-2,6-dimethylocta-2,6-dienedial · ligand · chains A
  • NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · chains A
  • NA · Sodium ion · metal · chains A
  • CA · Calcium ion · metal · chains A
  • GOL · Glycerol · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14460.830.9061XOG, NAP, CA

Compared structures

  • 5MLH · Plantago Major multifunctional oxidoreductase in complex with 8-oxogeranial and NADP+ · the same entry in another collection · chain A against A, TM-score 1.00

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