MolNFT v1 · #37545 · protein

Anomalous substructure of porcine pancreatic elastase (na)

2G4T · Elastase-1: “Anomalous substructure of porcine pancreatic elastase (na)”. X-ray diffraction, 2 ligands (NA, SO4), 2 pockets (best druggability 0.36). MolNFT v1 #37545 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 2G4T
Type: protein
Length: 240 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Elastase-1
EC: 3.4.21.36
UniProt: P00772
Ligands: NA, SO4
Pockets: 2 · best druggability 0.36

Structure

x-ray diffraction · 1 distinct chain · 11% helix, 38% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Elastase-1 (EC 3.4.21.36)	protein	240	11% helix, 38% strand	P00772

Ligands and binding sites

NA · Sodium ion · metal · chains A
SO4 · Sulfate ion · ion · 2 copies · 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, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	101	0.36	0.75	25	SO4
2	53	0.31	0.77	12	empty

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

2G4T · anomalous substructure of porcine pancreatic elastase (Na) · the same entry in another collection · chain A against A, TM-score 1.00
P00772 · AlphaFold monomer V2.0 prediction for chymotrypsin-like elastase family member 1 (P00772) · a predicted model of the same protein · 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 P00772
Elsewhere: RCSB PDB 2G4T · PDBe 2G4T · UniProt P00772

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