MolNFT v1 · #72191 · protein

Crystal stricture of D143A chitinase in complex with nag from bacillus cereus NCTU2

3N13 · Chitinase a: “Crystal stricture of D143A chitinase in complex with nag from bacillus cereus NCTU2”. X-ray diffraction, 1 ligand (NAG), 2 pockets (best druggability 0.44). MolNFT v1 #72191 on GenesisL1: 3D structure, binding sites…

PDB: 3N13
Type: protein
Length: 326 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Chitinase a
EC: 3.2.1.14
UniProt: D0VV09
Ligands: NAG
Pockets: 2 · best druggability 0.44

Structure

x-ray diffraction · 1 distinct chain · 35% helix, 22% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Chitinase a (EC 3.2.1.14)	protein	326	35% helix, 22% strand	D0VV09

Ligands and binding sites

NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · 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, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	155	0.44	0.75	25	NAG
2	54	0.32	0.77	18	empty

Compared structures

3N13 · Crystal stricture of D143A chitinase in complex with NAG from Bacillus cereus NCTU2 · 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 D0VV09
Elsewhere: RCSB PDB 3N13 · PDBe 3N13 · UniProt D0VV09

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