› 6l3r

X-ray diffraction
2Å resolution

Crystal structure of Ribonucleotide reductase R1 subunit, RRM1 in complex with 4-bromo-N-((1S,2R)-2-(naphthalen-1-yl)-1-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propyl)benzenesulfonamide

Released:
DOI: 10.2210/pdb6l3r/pdb
PDB entry 6l3r coloured by chain, front view.
PDB entry 6l3r coloured by chain, side view.
PDB entry 6l3r coloured by chain, top view.
Source organism: Homo sapiens
Entry authors: Miyahara S, Chong KT, Suzuki T

Function and Biology Details

Reaction catalysed: 
2'-deoxyribonucleoside diphosphate + thioredoxin disulfide + H(2)O = ribonucleoside diphosphate + thioredoxin
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-150118 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Ribonucleoside-diphosphate reductase large subunit Chains: A, E
Molecule details ›
Chains: A, E
Length: 669 amino acids
Theoretical weight: 76.19 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P23921 (Residues: 75-742; Coverage: 84%)
Gene names: RR1, RRM1
Sequence domains:

Ligands and Environments

5 bound ligands:
Ligand TTP 2 x TTP
Ligand MG 2 x MG
Ligand E4X 2 x E4X
Ligand ACT 3 x ACT
Ligand SO4 1 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: PHOTON FACTORY BEAMLINE BL-17A
Spacegroup: P212121
Unit cell:
a: 106.86Å b: 108.4Å c: 130.1Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.191 0.189 0.232
Expression system: Escherichia coli BL21(DE3)

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