MolNFT v1 · #185822 · protein

Solid-state NMR structure of teixobactin-lipid II

7QGV: “Solid-state NMR structure of teixobactin-lipid II”. Solid-state nmr, 4 ligands (P1W, 2PO, MUB). MolNFT v1 #185822 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7QGV
Type: protein
Length: 64 residues
Chains: 8
Method: solid-state nmr
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Teixobactin; Lipid II
Ligands: P1W, 2PO, MUB, NAG

Structure

solid-state nmr · 2 distinct chains · 0% helix, 31% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D	Teixobactin	protein	11	0% helix, 45% strand	—
E, F, G, H	Lipid II	protein	5	0% helix, 0% strand	—

Ligands and binding sites

P1W · 3-methylbut-2-en-1-ol · ligand · 12 copies · chains A, B, F, C, D
2PO · Phosphonate · ligand · 8 copies · chains A, B, C, E, D
MUB · N-acetyl-alpha-muramic acid · ligand · 4 copies · chains A, E, B, F, H, C, G, D
NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 4 copies · chains E, F, H, G

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

Interfaces

12 interfaces between chains.

C–D · 427 Å² buried · 13 hydrogen bonds · protein-protein
B–C · 417 Å² buried · 12 hydrogen bonds · protein-protein
A–B · 405 Å² buried · 12 hydrogen bonds · protein-protein
B–F · 105 Å² buried · 4 hydrogen bonds · protein-protein
E–G · 75 Å² buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 20 d-amino, 12 modified, 4 covalent (D-amino acid, nonstandard, covalent ligand).

Compared structures

7QGV · Solid-state NMR structure of Teixobactin-Lipid II. · 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 7QGV · PDBe 7QGV

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