MolNFT v1 · #164462 · protein

Asr alternansucrase in complex with isomaltotriose

6SYQ: “Asr alternansucrase in complex with isomaltotriose”. X-ray diffraction, 2 ligands (GLC, CA), 20 pockets (best druggability 0.76). MolNFT v1 #164462 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6SYQ
Type: protein
Length: 2,455 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Alternansucrase
EC: 2.4.1.140
UniProt: Q9RE05
Ligands: GLC, CA
Pockets: 20 · best druggability 0.76

Structure

x-ray diffraction · 2 distinct chains · 22% helix, 25% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Alternansucrase (EC 2.4.1.140)	protein	1275	21% helix, 27% strand	Q9RE05
B	Alternansucrase (EC 2.4.1.140)	protein	1180	23% helix, 24% strand	Q9RE05

Ligands and binding sites

GLC · alpha-D-glucopyranose · sugar · 9 copies · chains A, B
CA · Calcium ion · metal · 2 copies · chains A, B

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	859	0.76	0.80	99	empty
2	979	0.75	0.78	80	GLC
3	123	0.73	0.94	23	empty
4	125	0.73	0.93	23	empty
5	72	0.73	0.98	22	empty

Interfaces

1 interface between chains.

A–B · 1070 Å² buried · 8 hydrogen bonds · protein-protein

Compared structures

6SYQ · ASR Alternansucrase in complex with isomaltotriose · 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 Q9RE05
Elsewhere: RCSB PDB 6SYQ · PDBe 6SYQ · UniProt Q9RE05

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