MolNFT v1 · #150383 · protein

Glucuronoyl esterase from opitutus terrae (au derivative)

6GRW · Putative acetyl xylan esterase: “Glucuronoyl esterase from opitutus terrae (au derivative)”. X-ray diffraction, 3 ligands (AU, MG, CA), 3 pockets (best druggability 0.32). MolNFT v1 #150383 on GenesisL1: 3D structure, binding sites…

PDB: 6GRW
Type: protein
Length: 397 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Putative acetyl xylan esterase
UniProt: B1ZMF4
Ligands: AU, MG, CA
Pockets: 3 · best druggability 0.32

Structure

x-ray diffraction · 1 distinct chain · 35% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Putative acetyl xylan esterase	protein	397	35% helix, 21% strand	B1ZMF4

Ligands and binding sites

AU · Gold ion · metal · 2 copies · chains A
MG · Magnesium ion · metal · 2 copies · chains A
CA · Calcium ion · metal · chains A
EDO · 1,2-ethanediol · additive · 5 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

3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	52	0.32	0.78	14	empty
2	84	0.31	0.73	20	empty
3	61	0.30	0.75	17	empty

Compared structures

6GRW · Glucuronoyl Esterase from Opitutus terrae (Au derivative) · 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 B1ZMF4
Elsewhere: RCSB PDB 6GRW · PDBe 6GRW · UniProt B1ZMF4

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