MolNFT v1 · #62223 · protein

Crystal structure of 2-dehydro-3-deoxyphosphooctonate aldolase from vibrio cholerae O1 biovar eltor str. N16961

3E9A: “Crystal structure of 2-dehydro-3-deoxyphosphooctonate aldolase from vibrio cholerae O1 biovar eltor str.…”. X-ray diffraction, 1 ligand (SO4), 2 pockets (best druggability 0.66). MolNFT v1 #62223 on GenesisL1: 3D structure, binding…

PDB: 3E9A
Type: protein
Length: 275 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 2-dehydro-3-deoxyphosphooctonate aldolase
EC: 2.5.1.55
UniProt: Q9KQ29
Ligands: SO4
Pockets: 2 · best druggability 0.66

Structure

x-ray diffraction · 1 distinct chain · 43% helix, 20% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	2-dehydro-3-deoxyphosphooctonate aldolase (EC 2.5.1.55)	protein	275	43% helix, 20% strand	Q9KQ29

Ligands and binding sites

SO4 · Sulfate ion · ion · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	247	0.66	0.83	32	SO4
2	147	0.39	0.73	22	empty

Compared structures

3E9A · Crystal structure of 2-dehydro-3-deoxyphosphooctonate aldolase from Vibrio cholerae O1… · the same entry in another collection · chain A against A, TM-score 1.00
Q9KQ29 · AlphaFold monomer V2.0 prediction for 2-dehydro-3-deoxyphosphooctonate aldolase (Q9KQ29) · a predicted model of the same protein · chain A against A, TM-score 0.98

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 Q9KQ29
Elsewhere: RCSB PDB 3E9A · PDBe 3E9A · UniProt Q9KQ29

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