MolNFT v1 · #120727 · protein

Crystal structure of geobacter metallireducens SMUG1 with xanthine

5H9I: “Crystal structure of geobacter metallireducens SMUG1 with xanthine”. X-ray diffraction, 2 ligands (XAN, LEA), 2 pockets (best druggability 0.77). MolNFT v1 #120727 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5H9I
Type: protein
Length: 240 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Geobacter metallireducens SMUG1
UniProt: Q39ZI0
Ligands: XAN, LEA
Pockets: 2 · best druggability 0.77

Structure

x-ray diffraction · 1 distinct chain · 48% helix, 12% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Geobacter metallireducens SMUG1	protein	240	48% helix, 12% strand	Q39ZI0

Ligands and binding sites

XAN · Xanthine · ligand · chains A
LEA · Pentanoic acid · ligand · chains A
GOL · Glycerol · additive · 3 copies · chains A
BME · Beta-mercaptoethanol · additive · chains A
IPA · Isopropyl alcohol · additive · chains A

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

Pockets

2 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	84	0.77	0.98	23	empty
2	113	0.42	0.77	23	XAN

Compared structures

5H9I · Crystal structure of Geobacter metallireducens SMUG1 with xanthine · 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 Q39ZI0
Elsewhere: RCSB PDB 5H9I · PDBe 5H9I · UniProt Q39ZI0

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.