MolNFT v1 · #68858 · protein

Crystal structure of susg

3K8K · Alpha-amylase, susg: “Crystal structure of susg”. X-ray diffraction, 2 ligands (MG, CA), 11 pockets (best druggability 0.63). MolNFT v1 #68858 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3K8K
Type: protein
Length: 1,299 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Alpha-amylase, susg
UniProt: Q8A1G3
Ligands: MG, CA
Pockets: 11 · best druggability 0.63

Structure

x-ray diffraction · 2 distinct chains · 27% helix, 23% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Alpha-amylase, susg	protein	650	27% helix, 23% strand	Q8A1G3
B	Alpha-amylase, susg	protein	649	26% helix, 23% strand	Q8A1G3

Ligands and binding sites

MG · Magnesium ion · metal · 2 copies · chains A, B
CA · Calcium ion · metal · 2 copies · chains A, B
EDO · 1,2-ethanediol · additive · 13 copies · chains A, B
ACT · Acetate ion · additive · 5 copies · chains A, B
PEG · Di(hydroxyethyl)ether · additive · chains A

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

Pockets

11 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	567	0.63	0.75	49	EDO
2	156	0.46	0.76	24	EDO, ACT
3	155	0.45	0.76	25	EDO, ACT
4	85	0.39	0.77	17	empty
5	97	0.38	0.75	17	empty

Interfaces

1 interface between chains.

A–B · 182 Å² buried · 2 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 22 modified (engineered).

Compared structures

3K8K · Crystal structure of SusG · 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 3K8K · PDBe 3K8K · UniProt Q8A1G3

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