MolNFT v1 · #58626 · protein

Crystal structure of vibrio harveyi chitinase a complexed with hexasaccharide

3B9A: “Crystal structure of vibrio harveyi chitinase a complexed with hexasaccharide”. X-ray diffraction, 1 ligand (NAG), 3 pockets (best druggability 0.75). MolNFT v1 #58626 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3B9A
Type: protein
Length: 567 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Chitinase a
EC: 3.2.1.14
UniProt: Q9AMP1
Ligands: NAG
Pockets: 3 · best druggability 0.75

Structure

x-ray diffraction · 1 distinct chain · 30% helix, 25% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Chitinase a (EC 3.2.1.14)	protein	567	30% helix, 25% strand	Q9AMP1

Ligands and binding sites

NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 6 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	861	0.75	0.79	91	NAG
2	192	0.45	0.74	38	empty
3	75	0.33	0.75	17	empty

Modifications

Observed in the structure: 3 disulfide (disulfide).

Compared structures

3B9A · Crystal structure of Vibrio harveyi chitinase A complexed with hexasaccharide · 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 Q9AMP1
Elsewhere: RCSB PDB 3B9A · PDBe 3B9A · UniProt Q9AMP1

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