Research workbench

2-keto-3-deoxy-D-arabinonate dehydratase complexed with calcium and 2- oxobutyrate

Analyse 2-keto-3-deoxy-D-arabinonate dehydratase complexed with calcium and 2… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 2Q1C
Type: protein
Length: 291 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 2-keto-3-deoxy-D-arabinonate dehydratase
UniProt: Q97UA0
Ligands: 2KT, CA
Pockets: 1 · best druggability 0.56

Structure

x-ray diffraction · 1 distinct chain · 20% helix, 38% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
X	2-keto-3-deoxy-D-arabinonate dehydratase	protein	291	20% helix, 38% strand	Q97UA0

Ligands and binding sites

2KT · 2-ketobutyric acid · ligand · chains X
CA · Calcium ion · metal · chains X

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	110	0.56	0.84	29	CA, 2KT

Compared structures

2Q1C · 2-keto-3-deoxy-D-arabinonate dehydratase complexed with calcium and 2-oxobutyrate · the same entry in another collection · chain X against X, TM-score 1.00
Q97UA0 · AlphaFold monomer V2.0 prediction for 2-dehydro-3-deoxy-D-arabinonate dehydratase (Q97UA0) · a predicted model of the same protein · chain X 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 Q97UA0
Elsewhere: RCSB PDB 2Q1C · PDBe 2Q1C · UniProt Q97UA0

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.