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Crystal structure of the cis-dihydrodiol naphthalene dehydrogenase nahb from pseudomonas sp. MC1 in the presence of NAD+ and 2,3- dihydroxybiphenyl

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: 5XTG
Type: protein
Length: 233 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 2,3-dihydroxy-2,3-dihydrophenylpropionate dehydrogenase
UniProt: G9G7I7
Ligands: NAD, BPY
Pockets: 1 · best druggability 0.68

Structure

x-ray diffraction · 1 distinct chain · 47% helix, 16% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
B	2,3-dihydroxy-2,3-dihydrophenylpropionate dehydrogenase	protein	233	47% helix, 16% strand	G9G7I7

Ligands and binding sites

NAD · Nicotinamide-adenine-dinucleotide · ligand · chains B
BPY · Biphenyl-2,3-diol · ligand · chains B
CIT · Citric acid · additive · chains B

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.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	490	0.68	0.79	48	NAD, BPY

Compared structures

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

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt G9G7I7
Elsewhere: RCSB PDB 5XTG · PDBe 5XTG · UniProt G9G7I7

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