MolNFT v1 · #101682 · protein

Structure of vibrio cholerae chitin de-N-acetylase in complex with acetate ion (act) in C 2 2 21

4NYU · Deacetylase DA1: “Structure of vibrio cholerae chitin de-N-acetylase in complex with acetate ion (act) in C 2 2 21”. X-ray diffraction, 2 ligands (ZN, CA), 2 pockets (best druggability 0.72). MolNFT v1 #101682 on GenesisL1: 3D…

PDB: 4NYU
Type: protein
Length: 406 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Deacetylase DA1
EC: 3.5.1.41
UniProt: M7M1G8
Ligands: ZN, CA
Pockets: 2 · best druggability 0.72

Structure

x-ray diffraction · 1 distinct chain · 30% helix, 20% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Deacetylase DA1 (EC 3.5.1.41)	protein	406	30% helix, 20% strand	M7M1G8

Ligands and binding sites

ZN · Zinc ion · metal · chains A
CA · Calcium ion · metal · chains A
GOL · Glycerol · additive · 9 copies · chains A
ACT · Acetate ion · additive · chains A

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

Pockets

2 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	618	0.72	0.79	54	ACT, GOL
2	66	0.40	0.80	15	empty

Modifications

Observed in the structure: 3 disulfide (disulfide).

Compared structures

4NYU · Structure of Vibrio cholerae chitin de-N-acetylase in complex with acetate ion (ACT) in C… · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

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Every structure of UniProt M7M1G8
Elsewhere: RCSB PDB 4NYU · PDBe 4NYU · UniProt M7M1G8

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