› 5hi4

X-ray diffraction
1.8Å resolution

Binding site elucidation and structure guided design of macrocyclic IL-17A antagonists

Released:
DOI: 10.2210/pdb5hi4/pdb
Model geometry
Fit model/data
PDB entry 5hi4 coloured by chain, front view.
PDB entry 5hi4 coloured by chain, side view.
PDB entry 5hi4 coloured by chain, top view.
Source organisms:
Primary publication:
Binding site elucidation and structure guided design of macrocyclic IL-17A antagonists.
Liu S, Dakin LA, Xing L, Withka JM, Sahasrabudhe PV, Li W, Banker ME, Balbo P, Shanker S, Chrunyk BA, Guo Z, Chen JM, Young JA, Bai G, Starr JT, Wright SW, Bussenius J, Tan S, Gopalsamy A, Lefker BA, Vincent F, Jones LH, Xu H, Hoth LR, Geoghegan KF, Qiu X, Bunnage ME, Thorarensen A
OpenAccess logo Sci Rep 6 30859 (2016)
PMID: 27527709

Function and Biology Details

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

Structure analysis Details

Assembly composition:
hetero heptamer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-230005 (preferred)
Entry contents:
4 distinct polypeptide molecules
Macromolecules (4 distinct):
Interleukin-17A Chains: A, B
Molecule details ›
Chains: A, B
Length: 132 amino acids
Theoretical weight: 15.15 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q16552 (Residues: 24-155; Coverage: 100%)
Gene names: CTLA8, IL17, IL17A
Sequence domains: Interleukin-17
Structure domains: Cystine-knot cytokines
CAT-2000 FAB heavy chain Chains: C, H
Molecule details ›
Chains: C, H
Length: 237 amino acids
Theoretical weight: 25.05 KDa
Source organism: Homo sapiens
Expression system: Homo sapiens
Structure domains: Immunoglobulins
CAT-2000 FAB light chain Chains: D, L
synthetic IL-17A peptide inhibitor Chain: I

Ligands and Environments

1 bound ligand:
Ligand 63P 1 x 63P
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: APS BEAMLINE 17-ID
Spacegroup: P21
Unit cell:
a: 91.24Å b: 68.19Å c: 100.12Å
α: 90° β: 91.33° γ: 90°
R-values:
R R work R free
0.201 0.2 0.224
Expression systems:
  • Escherichia coli
  • Homo sapiens
  • Not provided

Quick links

Citations

3 review citations

Structure-based design and analysis of SuFEx chemical probes.
Jones et al. (2020)
2 more

7 mentions without citation

RosettaAntibodyDesign (RAbD): A general framework for computational antibody design.
Adolf-Bryfogle et al. (2018)
6 more

PDB-REDO

The sliders below show the change in model quality between original PDB entry and the PDB-REDO entry

Model Geometry
 
 
Data not available
DNA/RNA Geometry
 
 
Data not available
Fit model/data
 
 
Data not available
PDB-REDO