MolNFT v1 · #136585 · protein

Type II DAH7PS from pseudomonas aeruginosa with tyr bound

5UXN · Phospho-2-dehydro-3-deoxyheptonate aldolase: “Type II DAH7PS from pseudomonas aeruginosa with tyr bound”. X-ray diffraction, 5 ligands (PEP, TYR, CO), 3 pockets (best druggability 0.67). MolNFT v1 #136585 on GenesisL1: 3D structure…

PDB: 5UXN
Type: protein
Length: 445 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Phospho-2-dehydro-3-deoxyheptonate aldolase
EC: 2.5.1.54
UniProt: Q9I000
Ligands: PEP, TYR, CO, PO4, CL
Pockets: 3 · best druggability 0.67

Structure

x-ray diffraction · 1 distinct chain · 42% helix, 14% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Phospho-2-dehydro-3-deoxyheptonate aldolase (EC 2.5.1.54)	protein	445	42% helix, 14% strand	Q9I000

Ligands and binding sites

PEP · Phosphoenolpyruvate · ligand · chains A
TYR · Tyrosine · ligand · chains A
CO · Cobalt (II) ion · metal · chains A
PO4 · Phosphate ion · ion · 2 copies · chains A
CL · Chloride ion · ion · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	234	0.67	0.85	36	PO4, PEP
2	259	0.55	0.77	29	TYR
3	61	0.28	0.74	14	empty

Compared structures

5UXN · Type II DAH7PS from Pseudomonas aeruginosa with Tyr bound · 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 Q9I000
Elsewhere: RCSB PDB 5UXN · PDBe 5UXN · UniProt Q9I000

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