MolNFT v1 · #151833 · protein

BP0997, GH138 enzyme targeting pectin rhamnogalacturonan II

6HZE · BPA0997: “BP0997, GH138 enzyme targeting pectin rhamnogalacturonan II”. X-ray diffraction, 2 ligands (GTR, NA), 10 pockets (best druggability 0.79). MolNFT v1 #151833 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6HZE
Type: protein
Length: 1,715 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: BPA0997
Ligands: GTR, NA
Pockets: 10 · best druggability 0.79

Structure

x-ray diffraction · 2 distinct chains · 42% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	BPA0997	protein	859	42% helix, 18% strand	—
B	BPA0997	protein	856	42% helix, 17% strand	—

Ligands and binding sites

GTR · beta-D-galactopyranuronic acid · ligand · 2 copies · chains A, B
NA · Sodium ion · metal · 10 copies · chains A, B

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

Pockets

10 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1188	0.79	0.81	133	empty
2	1016	0.79	0.81	118	NA
3	70	0.73	0.97	28	GTR
4	70	0.72	0.97	24	GTR
5	483	0.63	0.76	42	empty

Interfaces

1 interface between chains.

A–B · 148 Å² buried · 0 hydrogen bonds · protein-protein

Compared structures

6HZE · BP0997, GH138 enzyme targeting pectin rhamnogalacturonan II · 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
Elsewhere: RCSB PDB 6HZE · PDBe 6HZE

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