MolNFT v1 · #32535 · protein

Crystal structure of dhal from E. COLI

2BTD · Pts-dependent dihydroxyacetone kinase: “Crystal structure of dhal from E. COLI”. X-ray diffraction, 2 ligands (ADP, MG), 1 pocket (best druggability 0.70). MolNFT v1 #32535 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 2BTD
Type: protein
Length: 209 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Pts-dependent dihydroxyacetone kinase
EC: 2.7.-.-
UniProt: P76014
Ligands: ADP, MG
Pockets: 1 · best druggability 0.70

Structure

x-ray diffraction · 1 distinct chain · 72% helix, 2% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Pts-dependent dihydroxyacetone kinase (EC 2.7.-.-)	protein	209	72% helix, 2% strand	P76014

Ligands and binding sites

ADP · Adenosine-5'-diphosphate · ligand · chains A
MG · Magnesium ion · metal · 2 copies · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	200	0.70	0.87	29	ADP, MG

Compared structures

2BTD · Crystal structure of DhaL from E. coli · the same entry in another collection · chain A against A, TM-score 1.00
P76014 · AlphaFold monomer V2.0 prediction for pep-dependent dihydroxyacetone kinase, ADP-binding… · a predicted model of the same protein · chain A against A, TM-score 0.99

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 P76014
Elsewhere: RCSB PDB 2BTD · PDBe 2BTD · UniProt P76014

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