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Crystal structure of oxac in complex with sah and oxaline

Analyse Crystal structure of oxac in complex with sah and oxaline in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 5W7R
Type: protein
Length: 396 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Oxac
UniProt: A0A1B2TT09
Ligands: 9Z7, SAH
Pockets: 2 · best druggability 0.82

Structure

x-ray diffraction · 1 distinct chain · 50% helix, 14% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Oxac	protein	396	50% helix, 14% strand	A0A1B2TT09

Ligands and binding sites

9Z7 · (3e,7ar,12as)-3-[(1H-imidazol-4-yl)methylidene]-6,12-dimethoxy-7A-(2-methylbut-3-en-2-yl)-7A,12-dihydro-1H, 5H-imidazo[1',2':1,2]pyrido[2,3-b]indole-2,5(3H)-dione · ligand · chains A
SAH · S-adenosyl-L-homocysteine · ligand · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	828	0.82	0.84	87	9Z7, SAH
2	56	0.28	0.74	14	empty

Compared structures

5W7R · Crystal structure of OxaC in complex with SAH and oxaline · 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 A0A1B2TT09
Elsewhere: RCSB PDB 5W7R · PDBe 5W7R · UniProt A0A1B2TT09

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