MolNFT v1 · #50392 · protein

Crystal structure of adenylate kinase from aquifex aeolicus in complex with AP5A

2RGX: “Crystal structure of adenylate kinase from aquifex aeolicus in complex with AP5A”. X-ray diffraction, 2 ligands (AP5, ZN), 1 pocket (best druggability 0.81). MolNFT v1 #50392 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 2RGX
Type: protein
Length: 203 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Adenylate kinase
EC: 2.7.4.3
UniProt: O66490
Ligands: AP5, ZN
Pockets: 1 · best druggability 0.81

Structure

x-ray diffraction · 1 distinct chain · 53% helix, 16% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Adenylate kinase (EC 2.7.4.3)	protein	203	53% helix, 16% strand	O66490

Ligands and binding sites

AP5 · Bis(adenosine)-5'-pentaphosphate · ligand · chains A
ZN · Zinc ion · metal · 4 copies · chains A

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

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	648	0.81	0.85	76	ZN, AP5

Compared structures

2RGX · Crystal Structure of Adenylate Kinase from Aquifex Aeolicus in complex with Ap5A · the same entry in another collection · chain A against A, TM-score 1.00
O66490 · AlphaFold monomer V2.0 prediction for adenylate kinase (O66490) · 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 O66490
Elsewhere: RCSB PDB 2RGX · PDBe 2RGX · UniProt O66490

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