MolNFT v1 · #61047 · protein

X-ray structure of the glycerol-3-phosphate dehydrogenase from bacillus halodurans complexed with FAD. northeast structural genomics consortium target BHR167.

3DA1: “X-ray structure of the glycerol-3-phosphate dehydrogenase from bacillus halodurans complexed with FAD.…”. X-ray diffraction, 1 ligand (FAD), 4 pockets (best druggability 0.79). MolNFT v1 #61047 on GenesisL1: 3D structure, binding…

PDB: 3DA1
Type: protein
Length: 496 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Glycerol-3-phosphate dehydrogenase
Ligands: FAD
Pockets: 4 · best druggability 0.79

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 23% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Glycerol-3-phosphate dehydrogenase	protein	496	40% helix, 23% strand	—

Ligands and binding sites

FAD · Flavin-adenine dinucleotide · ligand · chains A

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

Pockets

4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	759	0.79	0.83	84	FAD
2	338	0.60	0.77	30	empty
3	83	0.37	0.76	16	empty
4	57	0.29	0.74	14	empty

Modifications

Observed in the structure: 14 modified (engineered).

Compared structures

3DA1 · X-Ray structure of the glycerol-3-phosphate dehydrogenase from Bacillus halodurans… · 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
Elsewhere: RCSB PDB 3DA1 · PDBe 3DA1

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