MolNFT v1 · #141351 · protein

An anthrahydroquino-gama-pyrone synthase TXN09 complexed with sum

5Z4F · TXNO9: “An anthrahydroquino-gama-pyrone synthase TXN09 complexed with sum”. Solution nmr, 1 ligand (96F), 2 pockets (best druggability 0.84). MolNFT v1 #141351 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5Z4F
Type: protein
Length: 154 residues
Chains: 1
Method: solution nmr
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: TXNO9
UniProt: A0A0K1H313
Ligands: 96F
Pockets: 2 · best druggability 0.84

Structure

solution nmr · 1 distinct chain · 21% helix, 29% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	TXNO9	protein	154	21% helix, 29% strand	A0A0K1H313

Ligands and binding sites

96F · 1,8-dihydroxy-2-[(4R)-4-hydroxy-4-methyl-3-oxohexanoyl]-3-methylanthracene-9,10-dione · ligand · 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	618	0.84	0.88	65	96F
2	81	0.37	0.76	21	empty

Compared structures

5Z4F · An anthrahydroquino-Gama-pyrone synthase Txn09 complexed with SUM · 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 A0A0K1H313
Elsewhere: RCSB PDB 5Z4F · PDBe 5Z4F · UniProt A0A0K1H313

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