MolNFT v1 · #61101 · protein

Pseudomonas aeruginosa elastase with phosphoramidon

3DBK: “Pseudomonas aeruginosa elastase with phosphoramidon”. X-ray diffraction, 4 ligands (RDF, ZN, CA), 1 pocket (best druggability 0.52). MolNFT v1 #61101 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3DBK
Type: protein
Length: 298 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Elastase
UniProt: P14756
Ligands: RDF, ZN, CA, SO4
Pockets: 1 · best druggability 0.52

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 15% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Elastase	protein	298	40% helix, 15% strand	P14756

Ligands and binding sites

RDF · N-alpha-L-rhamnopyranosyloxy(hydroxyphosphinyl)-L-leucyl-L-tryptophan · ligand · chains A
ZN · Zinc ion · metal · chains A
CA · Calcium ion · metal · chains A
SO4 · Sulfate ion · ion · 3 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	121	0.52	0.81	29	RDF

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

3DBK · Pseudomonas aeruginosa elastase with phosphoramidon · the same entry in another collection · chain A against A, TM-score 1.00
P14756 · AlphaFold monomer V2.0 prediction for elastase (P14756) · 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 P14756
Elsewhere: RCSB PDB 3DBK · PDBe 3DBK · UniProt P14756

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