MolNFT v1 · #152132 · protein

Structure of ester-hydrolase EH1AB1 from the metagenome of lake arreo

6I8F: “Structure of ester-hydrolase EH1AB1 from the metagenome of lake arreo”. X-ray diffraction, 1 ligand (MG), 7 pockets (best druggability 0.82). MolNFT v1 #152132 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6I8F
Type: protein
Length: 630 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: EH1AB1
Ligands: MG
Pockets: 7 · best druggability 0.82

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 20% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	EH1AB1	protein	315	40% helix, 20% strand	—

Ligands and binding sites

MG · Magnesium ion · metal · 2 copies · chains A, B
PEG · Di(hydroxyethyl)ether · additive · 10 copies · chains A, B
GOL · Glycerol · additive · 10 copies · chains A, B

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	934	0.82	0.83	66	PEG
2	912	0.81	0.83	64	PEG, GOL
3	164	0.65	0.86	20	empty
4	89	0.41	0.78	14	empty
5	60	0.26	0.73	17	PEG

Interfaces

1 interface between chains.

A–B · 1042 Å² buried · 16 hydrogen bonds · protein-protein

Compared structures

6I8F · Structure of ester-hydrolase EH1AB1 from the metagenome of lake arreo · 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 6I8F · PDBe 6I8F

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