MolNFT v1 · #65777 · protein

Crystal structure of dutpase from streptococcus mutans

3H6X: “Crystal structure of dutpase from streptococcus mutans”. X-ray diffraction, 4 pockets (best druggability 0.64). MolNFT v1 #65777 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3H6X
Type: protein
Length: 387 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Dutpase
EC: 3.6.1.23
UniProt: Q8DVY3
Pockets: 4 · best druggability 0.64

Structure

x-ray diffraction · 3 distinct chains · 7% helix, 42% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Dutpase (EC 3.6.1.23)	protein	129	7% helix, 43% strand	Q8DVY3
B	Dutpase (EC 3.6.1.23)	protein	130	7% helix, 42% strand	Q8DVY3
C	Dutpase (EC 3.6.1.23)	protein	128	7% helix, 42% strand	Q8DVY3

Pockets

4 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	193	0.64	0.84	21	empty
2	289	0.61	0.79	30	empty
3	282	0.61	0.79	32	empty
4	288	0.60	0.79	30	empty

Interfaces

3 interfaces between chains.

A–B · 1159 Å² buried · 17 hydrogen bonds · protein-protein
A–C · 1156 Å² buried · 17 hydrogen bonds · protein-protein
B–C · 1130 Å² buried · 15 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 12 modified (engineered).

Compared structures

3H6X · Crystal structure of dUTPase from Streptococcus mutans · 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 Q8DVY3
Elsewhere: RCSB PDB 3H6X · PDBe 3H6X · UniProt Q8DVY3

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