MolNFT v1 · #173835 · protein

Notum fragment 722

7BCF · Palmitoleoyl-protein carboxylesterase notum: “Notum fragment 722”. X-ray diffraction, 3 ligands (T9W, NAG, SO4), 3 pockets (best druggability 0.69). MolNFT v1 #173835 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7BCF
Type: protein
Length: 338 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Palmitoleoyl-protein carboxylesterase notum
EC: 3.1.1.98
UniProt: Q6P988
Ligands: T9W, NAG, SO4
Pockets: 3 · best druggability 0.69

Structure

x-ray diffraction · 1 distinct chain · 34% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Palmitoleoyl-protein carboxylesterase notum (EC 3.1.1.98)	protein	338	34% helix, 17% strand	Q6P988

Ligands and binding sites

T9W · 2-[4-(2,5-Dioxopyrrolidin-1-yl)phenoxy]acetate · ligand · chains A
NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · chains A
SO4 · Sulfate ion · ion · 5 copies · 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, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	157	0.69	0.89	26	T9W
2	55	0.32	0.77	10	empty
3	54	0.25	0.72	14	empty

Modifications

Observed in the structure: 6 disulfide, 1 glycan (disulfide, N-glycosylation).

Compared structures

7BCF · Notum Fragment 722 · 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 Q6P988
Elsewhere: RCSB PDB 7BCF · PDBe 7BCF · UniProt Q6P988

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