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Crystal structure of structural genomics protein of unknown function (NP_812590.1) from bacteroides thetaiotaomicron vpi-5482 at 1.70 a resolution

Analyse Crystal structure of structural genomics protein of unknown function… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3HRP
Type: protein
Length: 400 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Uncharacterized protein
UniProt: Q8A1I2
Pockets: 2 · best druggability 0.71

Structure

x-ray diffraction · 1 distinct chain · 2% helix, 50% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Uncharacterized protein	protein	400	2% helix, 50% strand	Q8A1I2

Ligands and binding sites

EDO · 1,2-ethanediol · additive · 14 copies · chains A
MPD · (4S)-2-methyl-2,4-pentanediol · additive · chains A

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

Pockets

2 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	311	0.71	0.84	31	EDO
2	131	0.64	0.87	25	MPD, EDO

Modifications

Observed in the structure: 5 modified (engineered).

Compared structures

3HRP · Crystal structure of Structural genomics protein of unknown function (NP_812590.1) from… · 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 Q8A1I2
Elsewhere: RCSB PDB 3HRP · PDBe 3HRP · UniProt Q8A1I2

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