MolNFT v1 · #107131 · protein

The crystal structure of lipoyl synthase in complex with S-adenosyl homocysteine

4U0P · Lipoyl synthase 2: “The crystal structure of lipoyl synthase in complex with S-adenosyl homocysteine”. X-ray diffraction, 3 ligands (SF4, SAH, NA), 1 pocket (best druggability 0.85). MolNFT v1 #107131 on GenesisL1: 3D structure…

PDB: 4U0P
Type: protein
Length: 284 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Lipoyl synthase 2
EC: 2.8.1.8
UniProt: Q8DLC2
Ligands: SF4, SAH, NA
Pockets: 1 · best druggability 0.85

Structure

x-ray diffraction · 1 distinct chain · 39% helix, 15% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
B	Lipoyl synthase 2 (EC 2.8.1.8)	protein	284	39% helix, 15% strand	Q8DLC2

Ligands and binding sites

SF4 · Iron/sulfur cluster · ligand · 2 copies · chains B
SAH · S-adenosyl-L-homocysteine · ligand · chains B
NA · Sodium ion · metal · 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	576	0.85	0.90	61	SF4, SAH, NA

Compared structures

4U0P · The Crystal Structure of Lipoyl Synthase in Complex with S-Adenosyl Homocysteine · the same entry in another collection · chain B against B, TM-score 1.00
Q8DLC2 · AlphaFold monomer V2.0 prediction for lipoyl synthase 2 (Q8DLC2) · a predicted model of the same protein · chain B against A, TM-score 0.97

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 Q8DLC2
Elsewhere: RCSB PDB 4U0P · PDBe 4U0P · UniProt Q8DLC2

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