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Crystal structure of susg-D498N mutant with maltoheptaose

Analyse Crystal structure of susg-D498N mutant with maltoheptaose in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3K8L
Type: protein
Length: 1,295 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Alpha-amylase, susg
UniProt: Q8A1G3
Ligands: GLC, BGC, CA
Pockets: 9 · best druggability 0.77

Structure

x-ray diffraction · 2 distinct chains · 28% helix, 23% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Alpha-amylase, susg	protein	649	28% helix, 23% strand	Q8A1G3
B	Alpha-amylase, susg	protein	646	28% helix, 23% strand	Q8A1G3

Ligands and binding sites

GLC · alpha-D-glucopyranose · sugar · 34 copies · chains A, B
BGC · beta-D-glucopyranose · sugar · chains A
CA · Calcium ion · metal · 4 copies · chains A, B
EDO · 1,2-ethanediol · additive · 4 copies · chains A, B

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

Pockets

9 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	901	0.77	0.80	75	empty
2	144	0.43	0.75	23	GLC
3	124	0.42	0.76	18	GLC
4	56	0.41	0.81	22	empty
5	81	0.38	0.77	17	empty

Interfaces

1 interface between chains.

A–B · 642 Å² buried · 11 hydrogen bonds · protein-protein

Compared structures

3K8L · Crystal structure of SusG-D498N mutant with maltoheptaose · the same entry in another collection · chain A against A, TM-score 1.00
Q8A1G3 · AlphaFold monomer V2.0 prediction for alpha-amylase susg (Q8A1G3) · a predicted model of the same protein · chain B 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 Q8A1G3
Elsewhere: RCSB PDB 3K8L · PDBe 3K8L · UniProt Q8A1G3

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