MolNFT v1 · #90473 · protein

Structure of the inactive adenovirus proteinase at 0.98 ångström resolution

4EKF · Adenain: “Structure of the inactive adenovirus proteinase at 0.98 ångström resolution”. X-ray diffraction, 1 ligand (NA), 2 pockets (best druggability 0.44). MolNFT v1 #90473 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 4EKF
Type: protein
Length: 192 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Adenain
EC: 3.4.22.39
UniProt: P03252
Ligands: NA
Pockets: 2 · best druggability 0.44

Structure

x-ray diffraction · 1 distinct chain · 44% helix, 16% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Adenain (EC 3.4.22.39)	protein	192	44% helix, 16% strand	P03252

Ligands and binding sites

NA · Sodium ion · metal · 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	99	0.44	0.79	17	NA
2	77	0.37	0.77	18	empty

Modifications

Observed in the structure: 1 modified (oxidation).

Compared structures

4EKF · Structure of the Inactive Adenovirus Proteinase at 0.98 Angstrom Resolution · 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 P03252
Elsewhere: RCSB PDB 4EKF · PDBe 4EKF · UniProt P03252

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