MolNFT v1 · #114714 · protein

A novel family GH115 4-O-methyl-alpha-glucuronidase, BTGH115A, with specificity for decorated arabinogalactans

5BY3: “A novel family GH115 4-O-methyl-alpha-glucuronidase, BTGH115A, with specificity for decorated arabinogalactans”. X-ray diffraction, 2 ligands (NI, SO4), 7 pockets (best druggability 0.63). MolNFT v1 #114714 on GenesisL1: 3D…

PDB: 5BY3
Type: protein
Length: 759 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: BTGH115A
UniProt: Q8A3J6
Ligands: NI, SO4
Pockets: 7 · best druggability 0.63

Structure

x-ray diffraction · 1 distinct chain · 39% helix, 16% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	BTGH115A	protein	759	39% helix, 16% strand	Q8A3J6

Ligands and binding sites

NI · Nickel (II) ion · metal · chains A
SO4 · Sulfate ion · ion · chains A

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

Pockets

7 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	427	0.63	0.77	33	SO4
2	165	0.53	0.79	27	empty
3	137	0.52	0.81	22	empty
4	50	0.51	0.88	14	empty
5	105	0.49	0.81	23	empty

Modifications

Observed in the structure: 20 modified (engineered).

Compared structures

5BY3 · A novel family GH115 4-O-Methyl-alpha-glucuronidase, BtGH115A, with specificity for… · 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 Q8A3J6
Elsewhere: RCSB PDB 5BY3 · PDBe 5BY3 · UniProt Q8A3J6

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