MolNFT v1 · #169861 · protein

Scoe with oxovanadium and the caba substrate bound and HIS299 and ARG157 flipped out

6XPA · Scoe protein: “Scoe with oxovanadium and the caba substrate bound and HIS299 and ARG157 flipped out”. X-ray diffraction, 3 ligands (7UC, VVO, CL), 1 pocket (best druggability 0.83). MolNFT v1 #169861 on GenesisL1: 3D structure…

PDB: 6XPA
Type: protein
Length: 296 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Scoe protein
UniProt: A0A3B6UEU3
Ligands: 7UC, VVO, CL
Pockets: 1 · best druggability 0.83

Structure

x-ray diffraction · 1 distinct chain · 22% helix, 26% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Scoe protein	protein	296	22% helix, 26% strand	A0A3B6UEU3

Ligands and binding sites

7UC · (3~{R})-3-(2-hydroxy-2-oxoethylamino)butanoic acid · ligand · chains A
VVO · oxovanadium(2+) · ligand · chains A
CL · Chloride ion · ion · 2 copies · chains A
ACT · Acetate ion · additive · 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, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	317	0.83	0.93	53	7UC, VVO

Compared structures

6XPA · ScoE with oxovanadium and the CABA substrate bound and His299 and Arg157 flipped out · 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 A0A3B6UEU3
Elsewhere: RCSB PDB 6XPA · PDBe 6XPA · UniProt A0A3B6UEU3

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