› 2c95

X-ray diffraction
1.71Å resolution

Structure of adenylate kinase 1 in complex with P1,P4-di(adenosine) tetraphosphate

Released:
DOI: 10.2210/pdb2c95/pdb
PDB entry 2c95 coloured by chain, front view.
PDB entry 2c95 coloured by chain, side view.
PDB entry 2c95 coloured by chain, top view.
Source organism: Homo sapiens
Entry authors: Bunkoczi G, Filippakopoulos P, Jansson A, Longman E, von Delft F, Edwards A, Arrowsmith C, Sundstrom M, Knapp S

Function and Biology Details

Reactions catalysed: 
NTP + AMP = NDP + ADP
ATP + AMP = 2 ADP
ATP + nucleoside diphosphate = ADP + nucleoside triphosphate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-132721 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Adenylate kinase isoenzyme 1 Chains: A, B
Molecule details ›
Chains: A, B
Length: 196 amino acids
Theoretical weight: 21.84 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P00568 (Residues: 1-193; Coverage: 100%)
Gene name: AK1
Sequence domains: Adenylate kinase
Structure domains: P-loop containing nucleotide triphosphate hydrolases

Ligands and Environments

2 bound ligands:
Ligand B4P 2 x B4P
Ligand MLI 2 x MLI
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU FR-E
Spacegroup: P212121
Unit cell:
a: 62.535Å b: 69.998Å c: 88.558Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.178 0.176 0.228
Expression system: Escherichia coli BL21(DE3)

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