MolNFT v1 · #63476 · protein

The crystal structure of gbs pullulanase sap in complex with maltotetraose

3FAX · Reticulocyte binding protein: “The crystal structure of gbs pullulanase sap in complex with maltotetraose”. X-ray diffraction, 4 ligands (GLC, BGC, CA), 7 pockets (best druggability 0.58). MolNFT v1 #63476 on GenesisL1: 3D…

PDB: 3FAX
Type: protein
Length: 771 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Reticulocyte binding protein
UniProt: Q3DB05
Ligands: GLC, BGC, CA, CL
Pockets: 7 · best druggability 0.58

Structure

x-ray diffraction · 1 distinct chain · 27% helix, 25% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Reticulocyte binding protein	protein	771	27% helix, 25% strand	Q3DB05

Ligands and binding sites

GLC · alpha-D-glucopyranose · sugar · 2 copies · chains A
BGC · beta-D-glucopyranose · sugar · chains A
CA · Calcium ion · metal · 4 copies · chains A
CL · Chloride ion · ion · chains A

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

Pockets

7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	317	0.58	0.77	41	GLC, CA
2	165	0.54	0.80	28	empty
3	113	0.53	0.82	22	empty
4	97	0.38	0.76	18	empty
5	51	0.33	0.78	14	empty

Compared structures

3FAX · The crystal structure of GBS pullulanase SAP in complex with maltotetraose · 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 Q3DB05
Elsewhere: RCSB PDB 3FAX · PDBe 3FAX · UniProt Q3DB05

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