MolNFT v1 · #54655 · protein

CHIA1 from aspergillus fumigatus, apostructure

2XVP · Class III chitinase CHIA1: “CHIA1 from aspergillus fumigatus, apostructure”. X-ray diffraction, 1 ligand (PO4), 4 pockets (best druggability 0.75). MolNFT v1 #54655 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 2XVP
Type: protein
Length: 620 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Class III chitinase CHIA1
EC: 3.2.1.14
UniProt: B0Y2Y2
Ligands: PO4
Pockets: 4 · best druggability 0.75

Structure

x-ray diffraction · 1 distinct chain · 31% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Class III chitinase CHIA1 (EC 3.2.1.14)	protein	310	31% helix, 21% strand	B0Y2Y2

Ligands and binding sites

PO4 · Phosphate ion · ion · 10 copies · chains A, B

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

Pockets

4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	741	0.75	0.80	70	PO4
2	154	0.51	0.79	26	empty
3	208	0.51	0.76	27	empty
4	95	0.39	0.76	23	empty

Interfaces

1 interface between chains.

A–B · 618 Å² buried · 7 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 disulfide (disulfide).

Compared structures

2XVP · ChiA1 from Aspergillus fumigatus, apostructure · 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 B0Y2Y2
Elsewhere: RCSB PDB 2XVP · PDBe 2XVP · UniProt B0Y2Y2

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