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Crystal structure of ligand-free phosphoribohydrolase lonely guy from claviceps purpurea

Analyse Crystal structure of ligand-free phosphoribohydrolase lonely guy from claviceps… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 5AJT
Type: protein
Length: 868 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Phosphoribohydrolase lonely guy
UniProt: M1VUY5
Pockets: 3 · best druggability 0.74

Structure

x-ray diffraction · 1 distinct chain · 47% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D	Phosphoribohydrolase lonely guy	protein	217	47% helix, 18% strand	M1VUY5

Ligands and binding sites

EDO · 1,2-ethanediol · additive · 5 copies · chains A, B, C, D
TAR · D(-)-tartaric acid · additive · 5 copies · chains A, B, C, D

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	790	0.74	0.78	92	TAR
2	385	0.64	0.78	47	TAR
3	362	0.62	0.78	47	TAR

Interfaces

4 interfaces between chains.

A–B · 1593 Å² buried · 14 hydrogen bonds · protein-protein
C–D · 1593 Å² buried · 14 hydrogen bonds · protein-protein
A–C · 21 Å² buried · 0 hydrogen bonds · protein-protein
A–D · 17 Å² buried · 0 hydrogen bonds · protein-protein

Compared structures

5AJT · Crystal structure of ligand-free phosphoribohydrolase lonely guy from Claviceps purpurea · the same entry in another collection · chain A against A, TM-score 1.00

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Every structure of UniProt M1VUY5
Elsewhere: RCSB PDB 5AJT · PDBe 5AJT · UniProt M1VUY5

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