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Crystal structure of puue allantoinase in complex with hydantoin

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

PDB: 3CL7
Type: protein
Length: 604 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Puue allantoinase
EC: 3.5.2.5
Ligands: HYN
Pockets: 10 · best druggability 0.75

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 13% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Puue allantoinase (EC 3.5.2.5)	protein	302	41% helix, 13% strand	—

Ligands and binding sites

HYN · imidazolidine-2,4-dione · ligand · 2 copies · chains A, B

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

Pockets

10 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	867	0.75	0.79	69	empty
2	195	0.58	0.81	24	empty
3	52	0.51	0.88	17	HYN
4	53	0.41	0.82	16	HYN
5	142	0.38	0.73	28	empty

Interfaces

1 interface between chains.

A–B · 318 Å² buried · 1 hydrogen bond · protein-protein

Compared structures

3CL7 · Crystal structure of Puue Allantoinase in complex with Hydantoin · 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
Elsewhere: RCSB PDB 3CL7 · PDBe 3CL7

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