MolNFT v1 · #177247 · protein

Polyethylene terephthalate hydrolyzing lipase PET2 mutant - F105R- E110K

7EC8 · LIPIAF5-2: “Polyethylene terephthalate hydrolyzing lipase PET2 mutant - F105R- E110K”. X-ray diffraction, 1 ligand (SO4), 1 pocket (best druggability 0.39). MolNFT v1 #177247 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 7EC8
Type: protein
Length: 530 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: LIPIAF5-2
UniProt: C3RYL0
Ligands: SO4
Pockets: 1 · best druggability 0.39

Structure

x-ray diffraction · 1 distinct chain · 33% helix, 22% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	LIPIAF5-2	protein	265	33% helix, 22% strand	C3RYL0

Ligands and binding sites

SO4 · Sulfate ion · ion · 3 copies · chains A, B
EDO · 1,2-ethanediol · additive · 14 copies · chains A, B

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	79	0.39	0.78	22	EDO

Interfaces

1 interface between chains.

A–B · 578 Å² buried · 1 hydrogen bond · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

7EC8 · Polyethylene terephthalate hydrolyzing lipase PET2 mutant - F105R-E110K · 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 C3RYL0
Elsewhere: RCSB PDB 7EC8 · PDBe 7EC8 · UniProt C3RYL0

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