MolNFT v1 · #127213 · protein

Structure of the citrinin polyketide synthase cmet domain

5MPT: “Structure of the citrinin polyketide synthase cmet domain”. X-ray diffraction, 1 ligand (SAH), 2 pockets (best druggability 0.73). MolNFT v1 #127213 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5MPT
Type: protein
Length: 379 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Citrinin polyketide synthase
EC: 2.3.1.-
UniProt: Q65Z23
Ligands: SAH
Pockets: 2 · best druggability 0.73

Structure

x-ray diffraction · 1 distinct chain · 50% helix, 15% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Citrinin polyketide synthase (EC 2.3.1.-)	protein	379	50% helix, 15% strand	Q65Z23

Ligands and binding sites

SAH · S-adenosyl-L-homocysteine · ligand · chains A
EDO · 1,2-ethanediol · additive · 2 copies · 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	483	0.73	0.82	43	SAH
2	51	0.31	0.77	18	empty

Compared structures

5MPT · Structure of the citrinin polyketide synthase CMeT domain · the same entry in another collection · chain A against A, TM-score 1.00
Q65Z23 · AlphaFold monomer V2.0 prediction for citrinin polyketide synthase (Q65Z23) · a predicted model of the same protein · chain A against A, TM-score 0.99

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 Q65Z23
Elsewhere: RCSB PDB 5MPT · PDBe 5MPT · UniProt Q65Z23

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