› 3g4u

X-ray diffraction
2.1Å resolution

Ligand migration and cavities within scapharca dimeric hemoglobin: wild type with co bound to heme and dichloropropane bound to the XE4 cavity

Released:
DOI: 10.2210/pdb3g4u/pdb
PDB entry 3g4u coloured by chain, front view.
PDB entry 3g4u coloured by chain, side view.
PDB entry 3g4u coloured by chain, top view.
Source organism: Anadara inaequivalvis
Primary publication:
Ligand migration and cavities within Scapharca Dimeric HbI: studies by time-resolved crystallo-graphy, Xe binding, and computational analysis.
Knapp JE, Pahl R, Cohen J, Nichols JC, Schulten K, Gibson QH, Srajer V, Royer WE
Structure 17 1494-504 (2009)
PMID: 19913484

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-135420 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Globin-1 Chains: A, B
Molecule details ›
Chains: A, B
Length: 146 amino acids
Theoretical weight: 15.97 KDa
Source organism: Anadara inaequivalvis
Expression system: Escherichia coli
UniProt:
  • Canonical: P02213 (Residues: 1-146; Coverage: 100%)
Sequence domains: Globin
Structure domains: Globins

Ligands and Environments

3 bound ligands:
Ligand HEM 2 x HEM
Ligand CMO 2 x CMO
Ligand 0CL 2 x 0CL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RU200
Spacegroup: C2
Unit cell:
a: 93.17Å b: 43.83Å c: 83.43Å
α: 90° β: 121.88° γ: 90°
R-values:
R R work R free
0.191 0.191 0.219
Expression system: Escherichia coli

Quick links

Citations

5 review citations

Lessons Learned from 50 Years of Hemoglobin Research: Unstirred and Cell-Free Layers, Electrostatics, Baseball Gloves, and Molten Globules.
Olson JS. (2020)
4 more