MolNFT v1 · #159746 · protein

The structure of condensation and adenylation domains of teixobactin- producing nonribosomal peptide synthetase TXO1 serine module in complex with AMP

6OZV: “The structure of condensation and adenylation domains of teixobactin- producing nonribosomal peptide…”. X-ray diffraction, 2 ligands (AMP, SO4), 11 pockets (best druggability 0.71). MolNFT v1 #159746 on GenesisL1: 3D structure…

PDB: 6OZV
Type: protein
Length: 838 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: TXO1
UniProt: A0A0B5GUD2
Ligands: AMP, SO4
Pockets: 11 · best druggability 0.71

Structure

x-ray diffraction · 1 distinct chain · 37% helix, 23% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	TXO1	protein	838	37% helix, 23% strand	A0A0B5GUD2

Ligands and binding sites

AMP · Adenosine monophosphate · ligand · chains A
SO4 · Sulfate ion · ion · 4 copies · chains A
GOL · Glycerol · additive · chains A

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

Pockets

11 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1184	0.71	0.75	94	empty
2	490	0.65	0.77	68	AMP, GOL
3	288	0.64	0.81	42	empty
4	326	0.53	0.74	54	empty
5	52	0.42	0.83	17	empty

Compared structures

6OZV · The structure of condensation and adenylation domains of teixobactin-producing… · 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 A0A0B5GUD2
Elsewhere: RCSB PDB 6OZV · PDBe 6OZV · UniProt A0A0B5GUD2

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