MolNFT v1 · #110579 · protein

Sdia in complex with octanoyl-rac-glycerol

4Y13 · Transcriptional regulator of ftsqaz gene cluster: “Sdia in complex with octanoyl-rac-glycerol”. X-ray diffraction, 2 ligands (480, SO4), 3 pockets (best druggability 0.76). MolNFT v1 #110579 on GenesisL1: 3D structure, binding sites…

PDB: 4Y13
Type: protein
Length: 244 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Transcriptional regulator of ftsqaz gene cluster
UniProt: Q8XBD0
Ligands: 480, SO4
Pockets: 3 · best druggability 0.76

Structure

x-ray diffraction · 1 distinct chain · 51% helix, 12% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Transcriptional regulator of ftsqaz gene cluster	protein	244	51% helix, 12% strand	Q8XBD0

Ligands and binding sites

480 · (2S)-2,3-dihydroxypropyl octanoate · ligand · chains A
SO4 · Sulfate ion · ion · 2 copies · chains A
GOL · Glycerol · additive · 2 copies · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	197	0.76	0.91	31	480, GOL
2	154	0.48	0.77	18	empty
3	63	0.30	0.74	14	empty

Modifications

Observed in the structure: 12 modified (engineered).

Compared structures

4Y13 · SdiA in complex with octanoyl-rac-glycerol · 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 Q8XBD0
Elsewhere: RCSB PDB 4Y13 · PDBe 4Y13 · UniProt Q8XBD0

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