MolNFT v1 · #165919 · protein

Imidazole-triggered RAS-specific subtilisin SUBT_BACAM complexed with ysam peptide

6UAI · Subtilisin bpn': “Imidazole-triggered RAS-specific subtilisin SUBT_BACAM complexed with ysam peptide”. X-ray diffraction, 2 ligands (NA, CL), 1 pocket (best druggability 0.43). MolNFT v1 #165919 on GenesisL1: 3D structure, binding…

PDB: 6UAI
Type: protein
Length: 270 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Subtilisin bpn'; Ysam peptide
Ligands: NA, CL
Pockets: 1 · best druggability 0.43

Structure

x-ray diffraction · 2 distinct chains · 31% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
S	Subtilisin bpn'	protein	266	32% helix, 21% strand	—
B	Ysam peptide	protein	4	0% helix, 50% strand	—

Ligands and binding sites

NA · Sodium ion · metal · 2 copies · chains S, B
CL · Chloride ion · ion · chains S, B
EDO · 1,2-ethanediol · additive · 4 copies · chains S
PEG · Di(hydroxyethyl)ether · 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	53	0.43	0.83	20	empty

Interfaces

1 interface between chains.

S–B · 463 Å² buried · 15 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

6UAI · Imidazole-triggered RAS-specific subtilisin SUBT_BACAM complexed with YSAM peptide · 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 6UAI · PDBe 6UAI

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