MolNFT v1 · #157339 · protein

Structure of a bacterial ALDH16 complexed with NADH

6MVT · Aldehyde dehydrogenase: “Structure of a bacterial ALDH16 complexed with NADH”. X-ray diffraction, 2 ligands (NAI, NA), 5 pockets (best druggability 0.79). MolNFT v1 #157339 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 6MVT
Type: protein
Length: 751 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Aldehyde dehydrogenase
UniProt: A0A0Q3EUQ3
Ligands: NAI, NA
Pockets: 5 · best druggability 0.79

Structure

x-ray diffraction · 1 distinct chain · 42% helix, 19% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Aldehyde dehydrogenase	protein	751	42% helix, 19% strand	A0A0Q3EUQ3

Ligands and binding sites

NAI · 1,4-dihydronicotinamide adenine dinucleotide · ligand · chains A
NA · Sodium ion · metal · 3 copies · 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, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	913	0.79	0.81	63	empty
2	417	0.64	0.78	59	NA
3	268	0.59	0.79	35	NAI
4	230	0.53	0.76	26	empty
5	63	0.30	0.74	18	empty

Compared structures

6MVT · Structure of a bacterial ALDH16 complexed with NADH · the same entry in another collection · chain A against A, 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 A0A0Q3EUQ3
Elsewhere: RCSB PDB 6MVT · PDBe 6MVT · UniProt A0A0Q3EUQ3

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