MolNFT v1 · #187727 · protein

Chitin synthase 2 from candida albicans at the apo state

7STL: “Chitin synthase 2 from candida albicans at the apo state”. Electron microscopy, 1 ligand (3PE), 20 pockets (best druggability 0.86). MolNFT v1 #187727 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7STL
Type: protein
Length: 1,600 residues
Chains: 2
Method: electron microscopy
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Chitin synthase
EC: 2.4.1.16
UniProt: A0A1D8PTV3
Ligands: 3PE
Pockets: 20 · best druggability 0.86

Structure

electron microscopy · 1 distinct chain · 54% helix, 12% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Chitin synthase (EC 2.4.1.16)	protein	800	54% helix, 12% strand	A0A1D8PTV3

Ligands and binding sites

3PE · 1,2-diacyl-sn-glycero-3-phosphoethanolamine · ligand · 8 copies · chains A, B

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

Pockets

20 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1179	0.86	0.87	113	3PE
2	1102	0.86	0.86	105	3PE
3	1017	0.84	0.84	63	3PE
4	460	0.68	0.80	42	empty
5	255	0.60	0.80	44	empty

Interfaces

1 interface between chains.

A–B · 4818 Å² buried · 48 hydrogen bonds · protein-protein

Compared structures

7STL · Chitin Synthase 2 from Candida albicans at the apo state · 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 A0A1D8PTV3
Elsewhere: RCSB PDB 7STL · PDBe 7STL · UniProt A0A1D8PTV3

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