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MolNFT v1 · #175884 · protein

Crystal structure of tmm from strain HTCC7211 soaked with dms for 20 min

7D4N · Flavin-containing monooxygenase fmo: “Crystal structure of tmm from strain HTCC7211 soaked with dms for 20 min”. X-ray diffraction, 2 ligands (NAP, FAD), 7 pockets (best druggability 0.88). MolNFT v1 #175884 on GenesisL1: 3D…

PDB
7D4N
Type
protein
Length
886 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Flavin-containing monooxygenase fmo
UniProt
B6BQB2
Ligands
NAP, FAD
Pockets
7 · best druggability 0.88

Structure

x-ray diffraction · 2 distinct chains · 32% helix, 21% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AFlavin-containing monooxygenase fmoprotein44233% helix, 21% strandB6BQB2
BFlavin-containing monooxygenase fmoprotein44432% helix, 21% strandB6BQB2

Ligands and binding sites

  • NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · 2 copies · chains A, B
  • FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, B

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

Pockets

7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15950.880.9476NAP, FAD
25290.870.9379FAD
3770.640.9121empty
41060.500.8222empty
51220.490.8023empty

Interfaces

1 interface between chains.

  • A–B · 1716 Ų buried · 14 hydrogen bonds · protein-protein

Compared structures

  • 7D4N · Crystal structure of Tmm from strain HTCC7211 soaked with DMS for 20 min · the same entry in another collection · chain A against A, TM-score 1.00

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