› 1irj

X-ray diffraction
2.1Å resolution

Crystal Structure of the MRP14 complexed with CHAPS

Released:
DOI: 10.2210/pdb1irj/pdb
PDB entry 1irj coloured by chain, front view.
PDB entry 1irj coloured by chain, side view.
PDB entry 1irj coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
The crystal structure of human MRP14 (S100A9), a Ca(2+)-dependent regulator protein in inflammatory process.
Itou H, Yao M, Fujita I, Watanabe N, Suzuki M, Nishihira J, Tanaka I
J Mol Biol 316 265-76 (2002)
PMID: 11851337

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-139141 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Protein S100-A9 Chains: A, B, C, D, E, F, G, H
Molecule details ›
Chains: A, B, C, D, E, F, G, H
Length: 113 amino acids
Theoretical weight: 13.13 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P06702 (Residues: 2-114; Coverage: 99%)
Gene names: CAGB, CFAG, MRP14, S100A9
Sequence domains: S-100/ICaBP type calcium binding domain
Structure domains: EF-hand

Ligands and Environments

2 bound ligands:
Ligand CA 16 x CA
Ligand CPS 4 x CPS
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SPRING-8 BEAMLINE BL44B2
Spacegroup: P21
Unit cell:
a: 57.59Å b: 178.44Å c: 61.23Å
α: 90° β: 113.17° γ: 90°
R-values:
R R work R free
0.245 0.245 0.274
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

11 review citations

Calcium-dependent and -independent interactions of the S100 protein family.
Santamaria-Kisiel et al. (2006)
10 more

15 mentions without citation

Review of S100A9 biology and its role in cancer.
Markowitz et al. (2013)
14 more