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Crystal structure of a synthase 1 from santalum album

Analyse Crystal structure of a synthase 1 from santalum album in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 6A1I
Type: protein
Length: 522 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Sesquisabinene B synthase 1
UniProt: A0A0A0RDR2
Ligands: NI, CO3, SO4
Pockets: 5 · best druggability 0.73

Structure

x-ray diffraction · 1 distinct chain · 73% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Sesquisabinene B synthase 1	protein	522	73% helix, 0% strand	A0A0A0RDR2

Ligands and binding sites

NI · Nickel (II) ion · metal · chains A
CO3 · Carbonate ion · ion · 3 copies · chains A
SO4 · Sulfate ion · ion · 2 copies · chains A
GOL · Glycerol · additive · 5 copies · chains A

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

Pockets

5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	222	0.73	0.88	24	empty
2	336	0.71	0.84	44	GOL
3	423	0.67	0.79	50	CO3, GOL
4	277	0.61	0.79	22	GOL
5	100	0.37	0.75	17	GOL

Compared structures

6A1I · Crystal structure of a synthase 1 from Santalum album · 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 A0A0A0RDR2
Elsewhere: RCSB PDB 6A1I · PDBe 6A1I · UniProt A0A0A0RDR2

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