MolNFT v1 · #91579 · protein

Spore photoproduct lyase C140S mutant

4FHG: “Spore photoproduct lyase C140S mutant”. X-ray diffraction, 3 ligands (SF4, EEM, SO4), 4 pockets (best druggability 0.79). MolNFT v1 #91579 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4FHG
Type: protein
Length: 340 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Spore photoproduct lyase
UniProt: A4IQU1
Ligands: SF4, EEM, SO4
Pockets: 4 · best druggability 0.79

Structure

x-ray diffraction · 1 distinct chain · 37% helix, 22% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Spore photoproduct lyase	protein	340	37% helix, 22% strand	A4IQU1

Ligands and binding sites

SF4 · Iron/sulfur cluster · ligand · chains A
EEM · [(3S)-3-amino-4-hydroxy-4-oxo-butyl]-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl]-methyl-selanium · ligand · chains A
SO4 · Sulfate ion · ion · 4 copies · chains A
EDO · 1,2-ethanediol · additive · 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, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	802	0.79	0.83	78	SF4, EEM, SO4
2	68	0.30	0.74	14	empty
3	51	0.29	0.76	9	empty
4	55	0.27	0.74	15	empty

Compared structures

4FHG · Spore photoproduct lyase C140S mutant · 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 A4IQU1
Elsewhere: RCSB PDB 4FHG · PDBe 4FHG · UniProt A4IQU1

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