MolNFT v1 · #148481 · protein

Molecular mechanism of ATP versus GTP selectivity of adenylate kinase

6F7U: “Molecular mechanism of ATP versus GTP selectivity of adenylate kinase”. X-ray diffraction, 2 ligands (GCP, MG), 2 pockets (best druggability 0.37). MolNFT v1 #148481 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6F7U
Type: protein
Length: 214 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Adenylate kinase
EC: 2.7.4.3
UniProt: B7L799
Ligands: GCP, MG
Pockets: 2 · best druggability 0.37

Structure

x-ray diffraction · 1 distinct chain · 51% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Adenylate kinase (EC 2.7.4.3)	protein	214	51% helix, 17% strand	B7L799

Ligands and binding sites

GCP · Phosphomethylphosphonic acid guanylate ester · ligand · chains A
MG · Magnesium ion · metal · chains A

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

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	99	0.37	0.74	20	empty
2	58	0.34	0.77	16	empty

Compared structures

6F7U · Molecular Mechanism of ATP versus GTP Selectivity of Adenylate Kinase · the same entry in another collection · chain A against A, TM-score 1.00
B7L799 · AlphaFold monomer V2.0 prediction for adenylate kinase (B7L799) · a predicted model of the same protein · chain A against A, TM-score 0.71

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 B7L799
Elsewhere: RCSB PDB 6F7U · PDBe 6F7U · UniProt B7L799

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