MolNFT v1 · #136819 · protein

Protein 84 with aldehyde deformylating oxygenase activity from sulfolobus tokodaii (orthorhombic form)

5V4T · Hypothetic aldehyde deformylating oxygenase: “Protein 84 with aldehyde deformylating oxygenase activity from sulfolobus tokodaii (orthorhombic form)”. X-ray diffraction, 1 ligand (FE), 3 pockets (best druggability 0.85). MolNFT v1…

PDB: 5V4T
Type: protein
Length: 424 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Hypothetic aldehyde deformylating oxygenase
UniProt: Q970H5
Ligands: FE
Pockets: 3 · best druggability 0.85

Structure

x-ray diffraction · 1 distinct chain · 81% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Hypothetic aldehyde deformylating oxygenase	protein	212	81% helix, 0% strand	Q970H5

Ligands and binding sites

FE · Fe (III) ion · metal · 2 copies · chains A, B
EDO · 1,2-ethanediol · additive · 3 copies · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	477	0.85	0.91	53	empty
2	476	0.84	0.90	51	empty
3	125	0.43	0.76	20	EDO

Interfaces

1 interface between chains.

A–B · 474 Å² buried · 7 hydrogen bonds · protein-protein

Compared structures

5V4T · Protein 84 with aldehyde deformylating oxygenase activity from Sulfolobus tokodaii… · 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 Q970H5
Elsewhere: RCSB PDB 5V4T · PDBe 5V4T · UniProt Q970H5

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