MolNFT v1 · #27820 · protein

Crystal structure of human salivary alpha-amylase dimer

1XV8: “Crystal structure of human salivary alpha-amylase dimer”. X-ray diffraction, 2 ligands (CA, CL), 7 pockets (best druggability 0.84). MolNFT v1 #27820 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1XV8
Type: protein
Length: 992 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Alpha-amylase
EC: 3.2.1.1
UniProt: P04745
Ligands: CA, CL
Pockets: 7 · best druggability 0.84

Structure

x-ray diffraction · 1 distinct chain · 26% helix, 23% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Alpha-amylase (EC 3.2.1.1)	protein	496	26% helix, 23% strand	P04745

Ligands and binding sites

CA · Calcium ion · metal · 2 copies · chains A, B
CL · Chloride ion · ion · 2 copies · chains A, B

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

Pockets

7 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	908	0.84	0.86	105	empty
2	51	0.37	0.80	12	empty
3	66	0.32	0.76	12	empty
4	73	0.30	0.74	20	empty
5	66	0.30	0.74	12	empty

Interfaces

1 interface between chains.

A–B · 1061 Å² buried · 9 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 10 disulfide, 2 modified (disulfide, cyclization).

Compared structures

1XV8 · Crystal Structure of Human Salivary Alpha-Amylase Dimer · 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 P04745
Elsewhere: RCSB PDB 1XV8 · PDBe 1XV8 · UniProt P04745

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