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Snoal-like cyclase xime with its product xiamenmycin B

Analyse Snoal-like cyclase xime with its product xiamenmycin B in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 6ISL
Type: protein
Length: 240 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Xime, snoal-like domain protein
EC: 4.2.99.-
UniProt: U5Q2N8
Ligands: XIA
Pockets: 5 · best druggability 0.72

Structure

x-ray diffraction · 1 distinct chain · 30% helix, 47% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Xime, snoal-like domain protein (EC 4.2.99.-)	protein	120	30% helix, 47% strand	U5Q2N8

Ligands and binding sites

XIA · (2R,3S)-2-methyl-2-(4-methylpent-3-enyl)-3-oxidanyl-3, 4-dihydrochromene-6-carboxylic acid · ligand · 2 copies · chains A, B

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

Pockets

5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	243	0.72	0.86	32	XIA
2	236	0.71	0.86	33	XIA
3	131	0.40	0.74	20	empty
4	60	0.28	0.74	21	empty
5	53	0.28	0.74	20	empty

Interfaces

1 interface between chains.

A–B · 315 Å² buried · 7 hydrogen bonds · protein-protein

Compared structures

6ISL · SnoaL-like cyclase XimE with its product xiamenmycin B · 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 U5Q2N8
Elsewhere: RCSB PDB 6ISL · PDBe 6ISL · UniProt U5Q2N8

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