MolNFT v1 · #133177 · protein

Pandda analysis group deposition -- proteinase K changed state model for fragment frag xtal screen B7A

5RP9: “Pandda analysis group deposition -- proteinase K changed state model for fragment frag xtal screen B7A”. X-ray diffraction, 2 ligands (YEY, SO4), 1 pocket (best druggability 0.35). MolNFT v1 #133177 on GenesisL1: 3D structure…

PDB: 5RP9
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: YEY, SO4
Pockets: 1 · best druggability 0.35

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

YEY · 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrrole · 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	88	0.35	0.75	26	empty

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

5RP9 · PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag… · 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 P06873
Elsewhere: RCSB PDB 5RP9 · PDBe 5RP9 · UniProt P06873

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