MolNFT v1 · #5448 · protein

Crystal structure of chitinase a mutant D313A complexed with octa-N- acetylchitooctaose (NAG)8.

1EIB: “Crystal structure of chitinase a mutant D313A complexed with octa-N- acetylchitooctaose (NAG)8.”. X-ray diffraction, 1 ligand (NAG), 3 pockets (best druggability 0.70). MolNFT v1 #5448 on GenesisL1: 3D structure, binding sites and…

PDB: 1EIB
Type: protein
Length: 540 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Chitinase a
EC: 3.2.1.14
Ligands: NAG
Pockets: 3 · best druggability 0.70

Structure

x-ray diffraction · 1 distinct chain · 28% helix, 27% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Chitinase a (EC 3.2.1.14)	protein	540	28% helix, 27% strand	—

Ligands and binding sites

NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 8 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	550	0.70	0.79	59	NAG
2	93	0.34	0.74	16	empty
3	77	0.32	0.74	14	empty

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

1EIB · Crystal structure of chitinase a mutant D313A complexed with octa-N-acetylchitooctaose… · 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
Elsewhere: RCSB PDB 1EIB · PDBe 1EIB

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