MolNFT v1 · #10717 · protein

E. COLI thioesterase I/PROTEASE I/LYSOPHOSPHOLIPASE L1 in complexed with diethyl phosphono moiety

1J00: “E. COLI thioesterase I/PROTEASE I/LYSOPHOSPHOLIPASE L1 in complexed with diethyl phosphono moiety”. X-ray diffraction, 1 ligand (SO4), 1 pocket (best druggability 0.44). MolNFT v1 #10717 on GenesisL1: 3D structure, binding sites and…

PDB: 1J00
Type: protein
Length: 177 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Thioesterase I
EC: 3.1.2.-, 3.1.1.5
UniProt: P29679
Ligands: SO4
Pockets: 1 · best druggability 0.44

Structure

x-ray diffraction · 1 distinct chain · 50% helix, 15% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Thioesterase I (EC 3.1.2.-, 3.1.1.5)	protein	177	50% helix, 15% strand	P29679

Ligands and binding sites

SO4 · Sulfate ion · ion · chains A

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	0.44	0.80	19	empty

Modifications

Observed in the structure: 1 modified (nonstandard).

Compared structures

1J00 · E. coli Thioesterase I/Protease I/Lysophospholipase L1 in complexed with diethyl… · 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 P29679
Elsewhere: RCSB PDB 1J00 · PDBe 1J00 · UniProt P29679

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