MolNFT v1 · #83316 · protein

Crystal structure of a niemann-pick type C2 protein from japanese carpenter ant in complex with oleic acid

3WEB: “Crystal structure of a niemann-pick type C2 protein from japanese carpenter ant in complex with oleic acid”. X-ray diffraction, 1 ligand (OLA), 1 pocket (best druggability 0.74). MolNFT v1 #83316 on GenesisL1: 3D structure, binding…

PDB: 3WEB
Type: protein
Length: 132 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Niemann-pick type C2 protein
Ligands: OLA
Pockets: 1 · best druggability 0.74

Structure

x-ray diffraction · 1 distinct chain · 2% helix, 54% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Niemann-pick type C2 protein	protein	132	2% helix, 54% strand	—

Ligands and binding sites

OLA · Oleic acid · ligand · 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, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	461	0.74	0.82	36	OLA

Modifications

Observed in the structure: 3 disulfide (disulfide).

Compared structures

3WEB · Crystal structure of a Niemann-Pick type C2 protein from Japanese carpenter ant in… · 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 3WEB · PDBe 3WEB

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