MolNFT v1 · #164488 · protein

Asr alternansucrase in complex with isomaltose

6SZI: “Asr alternansucrase in complex with isomaltose”. X-ray diffraction, 2 ligands (GLC, CA), 20 pockets (best druggability 0.77). MolNFT v1 #164488 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6SZI
Type: protein
Length: 2,461 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 0.77

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	1276	21% helix, 26% strand	Q9RE05
B	Alternansucrase (EC 2.4.1.140)	protein	1185	23% helix, 24% strand	Q9RE05

Ligands and binding sites

GLC · alpha-D-glucopyranose · sugar · 6 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, 14 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1035	0.77	0.79	110	empty
2	923	0.74	0.78	75	empty
3	127	0.73	0.93	23	empty
4	74	0.73	0.98	20	empty
5	67	0.73	0.98	20	empty

Interfaces

1 interface between chains.

A–B · 1147 Å² buried · 13 hydrogen bonds · protein-protein

Compared structures

6SZI · ASR Alternansucrase in complex with isomaltose · 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 6SZI · PDBe 6SZI · UniProt Q9RE05

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