MolNFT v1 · #178379 · protein

Avmm catalyzes macrocyclization in alchivemycin a biosynthesis

7FE0: “Avmm catalyzes macrocyclization in alchivemycin a biosynthesis”. X-ray diffraction, 2 ligands (MG, CL), 3 pockets (best druggability 0.83). MolNFT v1 #178379 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7FE0
Type: protein
Length: 567 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Avmm
Ligands: MG, CL
Pockets: 3 · best druggability 0.83

Structure

x-ray diffraction · 1 distinct chain · 2% helix, 45% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C	Avmm	protein	189	2% helix, 45% strand	—

Ligands and binding sites

MG · Magnesium ion · metal · chains B, C
CL · Chloride ion · ion · 2 copies · chains B, C
CAC · Cacodylate ion · additive · chains C

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

Pockets

3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	814	0.83	0.85	89	empty
2	339	0.77	0.88	41	CL
3	381	0.75	0.85	39	MG

Interfaces

3 interfaces between chains.

B–C · 1279 Å² buried · 19 hydrogen bonds · protein-protein
A–B · 1275 Å² buried · 22 hydrogen bonds · protein-protein
A–C · 1223 Å² buried · 22 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 9 modified (engineered).

Compared structures

7FE0 · AvmM Catalyzes Macrocyclization in Alchivemycin A Biosynthesis · 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
Elsewhere: RCSB PDB 7FE0 · PDBe 7FE0

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