MolNFT v1 · #165892 · protein

Imidazole-triggered RAS-specific subtilisin SUBT_BACAM

6U9L · Subtilisin bpn': “Imidazole-triggered RAS-specific subtilisin SUBT_BACAM”. X-ray diffraction, 2 ligands (K, SCN), 1 pocket (best druggability 0.46). MolNFT v1 #165892 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6U9L
Type: protein
Length: 266 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Subtilisin bpn'
Ligands: K, SCN
Pockets: 1 · best druggability 0.46

Structure

x-ray diffraction · 1 distinct chain · 32% helix, 20% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
S	Subtilisin bpn'	protein	266	32% helix, 20% strand	—

Ligands and binding sites

K · Potassium ion · metal · 3 copies · chains S
SCN · Thiocyanate ion · ion · 5 copies · chains S
GOL · Glycerol · additive · chains S

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	145	0.46	0.77	37	SCN

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

6U9L · Imidazole-triggered RAS-specific subtilisin SUBT_BACAM · the same entry in another collection · chain S against S, 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
Elsewhere: RCSB PDB 6U9L · PDBe 6U9L

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