› 5th9

X-ray diffraction
3Å resolution

Structure determination of a potent, selective antibody inhibitor of human MMP9 (GS-5745 bound to MMP-9)

Released:
DOI: 10.2210/pdb5th9/pdb
PDB entry 5th9 coloured by chain, front view.
PDB entry 5th9 coloured by chain, side view.
PDB entry 5th9 coloured by chain, top view.
Source organisms:
Primary publication:
Biochemical characterization and structure determination of a potent, selective antibody inhibitor of human MMP9.
Appleby TC, Greenstein AE, Hung M, Liclican A, Velasquez M, Villaseñor AG, Wang R, Wong MH, Liu X, Papalia GA, Schultz BE, Sakowicz R, Smith V, Kwon HJ
J Biol Chem 292 6810-6820 (2017)
PMID: 28235803

Function and Biology Details

Reaction catalysed: 
Cleavage of gelatin types I and V and collagen types IV and V.
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
hetero trimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-230871 (preferred)
Entry contents:
3 distinct polypeptide molecules
Macromolecules (3 distinct):
GS-5745 Fab light chain Chains: L, M, N
Molecule details ›
Chains: L, M, N
Length: 214 amino acids
Theoretical weight: 23.42 KDa
Source organism: Oryctolagus cuniculus
Expression system: Oryctolagus cuniculus
Structure domains: Immunoglobulins
GS-5745 Fab heavy chain Chains: H, I, J
Molecule details ›
Chains: H, I, J
Length: 230 amino acids
Theoretical weight: 24.81 KDa
Source organism: Oryctolagus cuniculus
Expression system: Oryctolagus cuniculus
Structure domains: Immunoglobulins
67 kDa matrix metalloproteinase-9 Chains: A, B, C
Molecule details ›
Chains: A, B, C
Length: 231 amino acids
Theoretical weight: 25.96 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P14780 (Residues: 40-443; Coverage: 33%)
Gene names: CLG4B, MMP9
Sequence domains: Matrixin
Structure domains: Collagenase (Catalytic Domain)

Ligands and Environments

3 bound ligands:
Ligand ZN 6 x ZN
Ligand CA 6 x CA
Ligand NCO 3 x NCO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.1
Spacegroup: P43212
Unit cell:
a: 168.167Å b: 168.167Å c: 234.735Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.219 0.218 0.257
Expression systems:
  • Oryctolagus cuniculus
  • Escherichia coli

Quick links

Citations

16 review citations

The Rebirth of Matrix Metalloproteinase Inhibitors: Moving Beyond the Dogma.
Fields GB. (2019)
15 more

8 mentions without citation

Inhibitory Antibodies Designed for Matrix Metalloproteinase Modulation.
Fischer et al. (2019)
7 more