MolNFT v1 · #98408 · protein

Crystal structure of a bile-acid 7-alpha dehydratase (CLOHYLEM_06634) from clostridium hylemonae dsm 15053 at 2.20 a resolution

4L8O · Bile acid 7A-dehydratase, baie: “Crystal structure of a bile-acid 7-alpha dehydratase (CLOHYLEM_06634) from clostridium hylemonae dsm 15053 at…”. X-ray diffraction, 3 ligands (CO, NA, SO4), 1 pocket (best druggability 0.63). MolNFT…

PDB: 4L8O
Type: protein
Length: 164 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Bile acid 7A-dehydratase, baie
EC: 4.2.1.106
UniProt: B4YSU1
Ligands: CO, NA, SO4
Pockets: 1 · best druggability 0.63

Structure

x-ray diffraction · 1 distinct chain · 30% helix, 42% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Bile acid 7A-dehydratase, baie (EC 4.2.1.106)	protein	164	30% helix, 42% strand	B4YSU1

Ligands and binding sites

CO · Cobalt (II) ion · metal · chains A
NA · Sodium ion · metal · chains A
SO4 · Sulfate ion · ion · chains A
EDO · 1,2-ethanediol · additive · 4 copies · chains A

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	334	0.63	0.79	37	EDO

Compared structures

4L8O · Crystal structure of a bile-acid 7-alpha dehydratase (CLOHYLEM_06634) from Clostridium… · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

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Every structure of UniProt B4YSU1
Elsewhere: RCSB PDB 4L8O · PDBe 4L8O · UniProt B4YSU1

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