MolNFT v1 · #85500 · protein

Crystal structure of maltogenic amylase from S.MARINUS

4AEE · Alpha amylase, catalytic region: “Crystal structure of maltogenic amylase from S.MARINUS”. X-ray diffraction, 13 pockets (best druggability 0.76). MolNFT v1 #85500 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4AEE
Type: protein
Length: 1,368 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Alpha amylase, catalytic region
EC: 3.2.1.133
UniProt: A3DM60
Pockets: 13 · best druggability 0.76

Structure

x-ray diffraction · 1 distinct chain · 27% helix, 30% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Alpha amylase, catalytic region (EC 3.2.1.133)	protein	684	27% helix, 30% strand	A3DM60

Pockets

13 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1161	0.76	0.79	81	empty
2	836	0.76	0.80	79	empty
3	720	0.75	0.80	66	empty
4	546	0.69	0.78	43	empty
5	540	0.69	0.79	50	empty

Interfaces

1 interface between chains.

A–B · 792 Å² buried · 10 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 disulfide (disulfide).

Compared structures

4AEE · Crystal structure of maltogenic amylase from S.MARINUS · 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 A3DM60
Elsewhere: RCSB PDB 4AEE · PDBe 4AEE · UniProt A3DM60

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