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Crystal structure of the cis-dihydrodiol naphthalene dehydrogenase nahb from pseudomonas sp. MC1

Analyse Crystal structure of the cis-dihydrodiol naphthalene dehydrogenase nahb from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5XTF
Type
protein
Length
457 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
2,3-dihydroxy-2,3-dihydrophenylpropionate dehydrogenase
UniProt
G9G7I7
Pockets
4 · best druggability 0.60

Structure

x-ray diffraction · 2 distinct chains · 47% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A2,3-dihydroxy-2,3-dihydrophenylpropionate dehydrogenaseprotein22846% helix, 16% strandG9G7I7
B2,3-dihydroxy-2,3-dihydrophenylpropionate dehydrogenaseprotein22948% helix, 15% strandG9G7I7

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13520.600.7740empty
22990.580.7737empty
32460.530.7623empty
41040.380.7521empty

Interfaces

1 interface between chains.

  • A–B · 1418 Ų buried · 7 hydrogen bonds · protein-protein

Compared structures

  • 5XTF · Crystal structure of the cis-dihydrodiol naphthalene dehydrogenase NahB from Pseudomonas… · the same entry in another collection · chain A against A, TM-score 1.00

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