MolNFT v1 · #12784 · protein

Crystal structure of bovine adenosine deaminase complexed with 6- hydroxyl-1,6-dihydropurine riboside

1KRM: “Crystal structure of bovine adenosine deaminase complexed with 6- hydroxyl-1,6-dihydropurine riboside”. X-ray diffraction, 2 ligands (PRH, ZN), 3 pockets (best druggability 0.66). MolNFT v1 #12784 on GenesisL1: 3D structure, binding…

PDB: 1KRM
Type: protein
Length: 349 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Adenosine deaminase
EC: 3.5.4.4
UniProt: P56658
Ligands: PRH, ZN
Pockets: 3 · best druggability 0.66

Structure

x-ray diffraction · 1 distinct chain · 49% helix, 11% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Adenosine deaminase (EC 3.5.4.4)	protein	349	49% helix, 11% strand	P56658

Ligands and binding sites

PRH · 6-hydroxy-1,6-dihydro purine nucleoside · ligand · chains A
ZN · Zinc ion · metal · 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	156	0.66	0.87	33	PRH
2	84	0.36	0.75	21	empty
3	51	0.31	0.76	12	empty

Compared structures

1KRM · Crystal structure of bovine adenosine deaminase complexed with… · the same entry in another collection · chain A against A, TM-score 1.00
P56658 · AlphaFold monomer V2.0 prediction for adenosine deaminase (P56658) · a predicted model of the same protein · chain A against A, TM-score 0.99

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 P56658
Elsewhere: RCSB PDB 1KRM · PDBe 1KRM · UniProt P56658

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