MolNFT v1 · #64058 · protein

Crystal structure of qdtc, the dtdp-3-amino-3,6-dideoxy-D- glucose N-acetyl transferase from thermoanaerobacterium thermosaccharolyticum in complex with acetyl-CoA

3FS8: “Crystal structure of qdtc, the dtdp-3-amino-3,6-dideoxy-D- glucose N-acetyl transferase from…”. X-ray diffraction, 2 ligands (ACO, TDR), 1 pocket (best druggability 0.49). MolNFT v1 #64058 on GenesisL1: 3D structure, binding sites…

PDB: 3FS8
Type: protein
Length: 516 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Qdtc
UniProt: Q6TFC6
Ligands: ACO, TDR
Pockets: 1 · best druggability 0.49

Structure

x-ray diffraction · 2 distinct chains · 6% helix, 30% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Qdtc	protein	259	7% helix, 31% strand	Q6TFC6
B	Qdtc	protein	257	6% helix, 30% strand	Q6TFC6

Ligands and binding sites

ACO · Acetyl coenzyme *A · ligand · 2 copies · chains A, B
TDR · Thymine · ligand · 2 copies · chains A, B

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

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	230	0.49	0.75	29	empty

Interfaces

1 interface between chains.

A–B · 144 Å² buried · 0 hydrogen bonds · protein-protein

Compared structures

3FS8 · Crystal structure of QdtC, the dTDP-3-amino-3,6-dideoxy-D-glucose N-acetyl transferase… · 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 Q6TFC6
Elsewhere: RCSB PDB 3FS8 · PDBe 3FS8 · UniProt Q6TFC6

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