MolNFT v1 · #73958 · protein

Crystal structure of the complex of xylanase-alpha-amylase inhibitor protein (xaip-I) with trehalose at 1.87 a resolution

3OIH · Haementhin: “Crystal structure of the complex of xylanase-alpha-amylase inhibitor protein (xaip-I) with trehalose at 1.87…”. X-ray diffraction, 2 ligands (GLC, PO4), 1 pocket (best druggability 0.32). MolNFT v1 #73958 on GenesisL1…

PDB: 3OIH
Type: protein
Length: 272 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Haementhin
UniProt: B2ZGS7
Ligands: GLC, PO4
Pockets: 1 · best druggability 0.32

Structure

x-ray diffraction · 1 distinct chain · 33% helix, 22% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Haementhin	protein	272	33% helix, 22% strand	B2ZGS7

Ligands and binding sites

GLC · alpha-D-glucopyranose · sugar · 2 copies · chains A
PO4 · Phosphate ion · ion · chains A
ACT · Acetate ion · additive · 3 copies · chains A

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

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	56	0.32	0.76	16	empty

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

3OIH · Crystal Structure of the complex of xylanase-alpha-amylase inhibitor Protein (XAIP-I)… · 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 B2ZGS7
Elsewhere: RCSB PDB 3OIH · PDBe 3OIH · UniProt B2ZGS7

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