MolNFT v1 · #60124 · protein

Crystal structure of a putative alpha-rhamnosidase from bacteroides thetaiotaomicron

3CIH: “Crystal structure of a putative alpha-rhamnosidase from bacteroides thetaiotaomicron”. X-ray diffraction, 9 pockets (best druggability 0.73). MolNFT v1 #60124 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3CIH
Type: protein
Length: 714 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Putative alpha-rhamnosidase
UniProt: Q8A916
Pockets: 9 · best druggability 0.73

Structure

x-ray diffraction · 1 distinct chain · 30% helix, 30% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Putative alpha-rhamnosidase	protein	714	30% helix, 30% strand	Q8A916

Ligands and binding sites

EDO · 1,2-ethanediol · additive · 3 copies · chains A
TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains A

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

Pockets

9 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	106	0.73	0.95	25	empty
2	237	0.62	0.81	26	EDO
3	65	0.49	0.84	18	TRS
4	70	0.48	0.84	18	empty
5	88	0.42	0.79	18	empty

Modifications

Observed in the structure: 24 modified (engineered).

Compared structures

3CIH · Crystal structure of a putative alpha-rhamnosidase from Bacteroides thetaiotaomicron · 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 Q8A916
Elsewhere: RCSB PDB 3CIH · PDBe 3CIH · UniProt Q8A916

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