MolNFT v1 · #106119 · protein

Crystal structure of the sat domain from the non-reducing fungal polyketide synthase cazm with bound hexanoyl

4RPM · Sat domain from cazm: “Crystal structure of the sat domain from the non-reducing fungal polyketide synthase cazm with bound hexanoyl”. X-ray diffraction, 2 ligands (6NA, HXC), 6 pockets (best druggability 0.69). MolNFT v1 #106119 on…

PDB: 4RPM
Type: protein
Length: 395 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Sat domain from cazm
UniProt: Q2GWK9
Ligands: 6NA, HXC
Pockets: 6 · best druggability 0.69

Structure

x-ray diffraction · 1 distinct chain · 51% helix, 13% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Sat domain from cazm	protein	395	51% helix, 13% strand	Q2GWK9

Ligands and binding sites

6NA · Hexanoic acid · ligand · chains A
HXC · Hexanoyl-coenzyme A · ligand · chains A

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

Pockets

6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	197	0.69	0.86	33	6NA, HXC
2	113	0.51	0.81	23	empty
3	109	0.47	0.80	19	empty
4	66	0.40	0.79	13	empty
5	57	0.36	0.79	15	empty

Modifications

Observed in the structure: 7 modified, 1 covalent (engineered, covalent ligand).

Compared structures

4RPM · Crystal structure of the SAT domain from the non-reducing fungal polyketide synthase CazM… · 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 Q2GWK9
Elsewhere: RCSB PDB 4RPM · PDBe 4RPM · UniProt Q2GWK9

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