MolNFT v1 · #133147 · protein

Pandda analysis group deposition -- proteinase K changed state model for fragment frag xtal screen C11A

5ROF: “Pandda analysis group deposition -- proteinase K changed state model for fragment frag xtal screen C11A”. X-ray diffraction, 2 ligands (4AQ, SO4), 1 pocket (best druggability 0.34). MolNFT v1 #133147 on GenesisL1: 3D structure…

PDB: 5ROF
Type: protein
Length: 279 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Proteinase K
EC: 3.4.21.64
UniProt: P06873
Ligands: 4AQ, SO4
Pockets: 1 · best druggability 0.34

Structure

x-ray diffraction · 1 distinct chain · 27% helix, 24% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Proteinase K (EC 3.4.21.64)	protein	279	27% helix, 24% strand	P06873

Ligands and binding sites

4AQ · 2-(1H-indol-3-yl)-N-[(1-methyl-1H-pyrrol-2-yl) methyl]ethanamine · ligand · chains A
SO4 · Sulfate ion · ion · 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, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	81	0.34	0.75	25	4AQ

Modifications

Observed in the structure: 2 disulfide (disulfide).

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 P06873
Elsewhere: RCSB PDB 5ROF · PDBe 5ROF · UniProt P06873

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