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The crystal structure of EcAAH in complex with allantoate

Analyse The crystal structure of EcAAH in complex with allantoate in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 4PXD
Type: protein
Length: 822 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v2 / PDB Bank
Contract: 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner: 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution: 2.2
Source: Escherichia coli
Molecule: Allantoate amidohydrolase
EC: 3.5.3.-
UniProt: P77425
Ligands: 1AL, MN
Pockets: 3 · best druggability 0.67

Structure

x-ray diffraction · resolution 2.2 · 1 distinct chain · 38% helix, 26% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Allantoate amidohydrolase (EC 3.5.3.-)	protein	411	38% helix, 26% strand	P77425

Ligands and binding sites

1AL · Allantoate ion · ligand · 2 copies · chains A, B
MN · Manganese (II) ion · metal · 2 copies · chains A, B

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

Pockets

3 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	617	0.67	0.77	68	empty
2	125	0.54	0.82	27	empty
3	137	0.53	0.81	28	empty

Interfaces

1 interface between chains.

A–B · 2577 Å² buried · 33 hydrogen bonds · protein-protein

Compared structures

4PXD · The crystal structure of ecaah in complex with allantoate · the same entry in another collection · chain A against A, TM-score 1.00
P77425 · AlphaFold monomer V2.0 prediction for allantoate amidohydrolase (P77425) · a predicted model of the same protein · chain B against A, TM-score 0.84

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 P77425
Elsewhere: RCSB PDB 4PXD · PDBe 4PXD · UniProt P77425

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