MolNFT v1 · #50911 · protein

Structure and possible catalytic residues of taka-amylase a

2TAA: “Structure and possible catalytic residues of taka-amylase a”. X-ray diffraction, 1 ligand (CA), 11 pockets (best druggability 0.76). MolNFT v1 #50911 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 2TAA
Type: protein
Length: 1,434 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Taka-amylase a
EC: 3.2.1.1
UniProt: P10529
Ligands: CA
Pockets: 11 · best druggability 0.76

Structure

x-ray diffraction · 1 distinct chain · 26% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C	Taka-amylase a (EC 3.2.1.1)	protein	478	26% helix, 17% strand	P10529

Ligands and binding sites

CA · Calcium ion · metal · 3 copies · chains A, B, C

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

Pockets

11 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	87	0.76	0.97	22	empty
2	92	0.73	0.95	19	empty
3	160	0.69	0.88	26	empty
4	632	0.68	0.77	65	empty
5	430	0.67	0.79	36	empty

Interfaces

3 interfaces between chains.

A–B · 2661 Å² buried · 335 hydrogen bonds · protein-protein
B–C · 2414 Å² buried · 270 hydrogen bonds · protein-protein
A–C · 208 Å² buried · 14 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 12 disulfide, 3 isopeptide (disulfide, isopeptide).

Compared structures

2TAA · Structure and possible catalytic residues of taka-amylase a · 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 P10529
Elsewhere: RCSB PDB 2TAA · PDBe 2TAA · UniProt P10529

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.