MolNFT v1 · #119815 · protein

Crystal structure of mycobacterium smegmatis MUTT1

5GG5 · Hydrolase, nudix family protein: “Crystal structure of mycobacterium smegmatis MUTT1”. X-ray diffraction, 1 ligand (SO4), 3 pockets (best druggability 0.50). MolNFT v1 #119815 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 5GG5
Type: protein
Length: 293 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Hydrolase, nudix family protein
UniProt: A0QUZ2
Ligands: SO4
Pockets: 3 · best druggability 0.50

Structure

x-ray diffraction · 1 distinct chain · 33% helix, 33% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Hydrolase, nudix family protein	protein	293	33% helix, 33% strand	A0QUZ2

Ligands and binding sites

SO4 · Sulfate ion · ion · 11 copies · chains A
EDO · 1,2-ethanediol · additive · 24 copies · chains A
PEG · Di(hydroxyethyl)ether · additive · 3 copies · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	122	0.50	0.80	19	PEG
2	106	0.49	0.81	18	empty
3	129	0.41	0.75	21	SO4, EDO

Compared structures

5GG5 · Crystal structure of Mycobacterium smegmatis MutT1 · the same entry in another collection · chain A against A, TM-score 1.00
A0QUZ2 · AlphaFold monomer V2.0 prediction for 8-oxo-(D)GTP phosphatase (A0QUZ2) · a predicted model of the same protein · chain A against A, TM-score 0.95

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 A0QUZ2
Elsewhere: RCSB PDB 5GG5 · PDBe 5GG5 · UniProt A0QUZ2

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