MolNFT v1 · #61938 · protein

Computationally designed ammelide deaminase

3E0L · Guanine deaminase: “Computationally designed ammelide deaminase”. X-ray diffraction, 1 ligand (ZN), 10 pockets (best druggability 0.84). MolNFT v1 #61938 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3E0L
Type: protein
Length: 884 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Guanine deaminase
EC: 3.5.4.3
UniProt: Q9Y2T3
Ligands: ZN
Pockets: 10 · best druggability 0.84

Structure

x-ray diffraction · 1 distinct chain · 39% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Guanine deaminase (EC 3.5.4.3)	protein	442	39% helix, 21% strand	Q9Y2T3

Ligands and binding sites

ZN · Zinc ion · metal · 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, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	226	0.84	0.97	32	empty
2	530	0.75	0.83	63	empty
3	525	0.74	0.82	66	empty
4	187	0.51	0.77	20	empty
5	158	0.47	0.77	19	empty

Interfaces

1 interface between chains.

A–B · 2452 Å² buried · 41 hydrogen bonds · protein-protein

Compared structures

3E0L · Computationally Designed Ammelide Deaminase · the same entry in another collection · chain A against A, TM-score 1.00
Q9Y2T3 · AlphaFold monomer V2.0 prediction for guanine deaminase (Q9Y2T3) · a predicted model of the same protein · 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 Q9Y2T3
Elsewhere: RCSB PDB 3E0L · PDBe 3E0L · UniProt Q9Y2T3

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