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Crystal structure of clavaminate synthase

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

PDB: 1DS0
Type: protein
Length: 323 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Clavaminate synthase 1
UniProt: Q05581
Ligands: SO4
Pockets: 3 · best druggability 0.71

Structure

x-ray diffraction · 1 distinct chain · 31% helix, 22% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Clavaminate synthase 1	protein	323	31% helix, 22% strand	Q05581

Ligands and binding sites

SO4 · Sulfate ion · ion · 3 copies · chains A
ACT · Acetate ion · additive · chains A

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

Pockets

3 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	237	0.71	0.86	35	ACT, SO4
2	55	0.39	0.81	17	SO4
3	58	0.31	0.75	13	empty

Compared structures

1DS0 · Crystal structure of clavaminate synthase · the same entry in another collection · chain A against A, TM-score 1.00
Q05581 · AlphaFold monomer V2.0 prediction for clavaminate synthase 1 (Q05581) · a predicted model of the same protein · chain A against A, TM-score 0.98

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 Q05581
Elsewhere: RCSB PDB 1DS0 · PDBe 1DS0 · UniProt Q05581

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