4QHU

Crystal Structure of IL-17A/Fab6785 complex

PDB DOI: https://doi.org/10.2210/pdb4QHU/pdb

Classification: IMMUNE SYSTEM
Organism(s): Homo sapiens
Expression System: Homo sapiens, Escherichia coli
Mutation(s): Yes

Deposited: 2014-05-29 Released: 2015-08-05
Deposition Author(s): Luo, J., Gilliland, G.L., Malia, T., Obmolova, G., Teplyakov, A.

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 2.20 Å
R-Value Free: 0.216
R-Value Work: 0.171
R-Value Observed: 0.173

wwPDB Validation 3D Report Full Report

This is version 1.0 of the entry. See complete history.

Literature

IL-17A Asymmetry in a Complex with a Neutralizing Antibody Fab6785 Reveals a Potential Mechanism of Receptor Differentiation

Luo, J., Gilliland, G.L., Malia, T., Obmolova, G., Teplyakov, A.

To be published.

Macromolecule Content

Total Structure Weight: 124.65 kDa
Atom Count: 9,238
Modelled Residue Count: 1,058
Deposited Residue Count: 1,140
Unique protein chains: 3

Macromolecules

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(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
Fab6785 light chain	A [auth L], C [auth A]	214	Homo sapiens	Mutation(s): 0
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
Sequence Annotations Expand
Reference Sequence

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(by identity cutoff) | 3D Structure

Entity ID: 2
Molecule	Chains	Sequence Length	Organism	Details	Image
Fab6785 heavy chain	B [auth H], D [auth B]	224	Homo sapiens	Mutation(s): 0
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
Sequence Annotations Expand
Reference Sequence

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(by identity cutoff) | 3D Structure

Entity ID: 3
Molecule	Chains	Sequence Length	Organism	Details	Image
Interleukin-17A	E [auth C], F [auth D]	132	Homo sapiens	Mutation(s): 1 Gene Names: IL17A, CTLA8, IL17
UniProt & NIH Common Fund Data Resources
Find proteins for Q16552 (Homo sapiens) Explore Q16552 Go to UniProtKB: Q16552
PHAROS: Q16552 GTEx: ENSG00000112115
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	Q16552
Sequence Annotations Expand
Reference Sequence

Small Molecules

Ligands 3 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
SO4 Query on SO4 Download Ideal Coordinates CCD File SDF format, chain J [auth H] SDF format, chain N [auth B] SDF format, chain O [auth C] SDF format, chain P [auth C] SDF format, chain Q [auth D] MOL2 format, chain J [auth H] MOL2 format, chain N [auth B] MOL2 format, chain O [auth C] MOL2 format, chain P [auth C] MOL2 format, chain Q [auth D]	J [auth H], N [auth B], O [auth C], P [auth C], Q [auth D]	SULFATE ION O₄ S QAOWNCQODCNURD-UHFFFAOYSA-L		Interactions Focus chain J [auth H] Focus chain N [auth B] Focus chain O [auth C] Focus chain P [auth C] Focus chain Q [auth D] Interactions & Density Focus chain J [auth H] Focus chain N [auth B] Focus chain O [auth C] Focus chain P [auth C] Focus chain Q [auth D]
GOL Query on GOL Download Ideal Coordinates CCD File SDF format, chain G [auth L] SDF format, chain H [auth L] SDF format, chain K [auth H] SDF format, chain L [auth A] SDF format, chain M [auth A] MOL2 format, chain G [auth L] MOL2 format, chain H [auth L] MOL2 format, chain K [auth H] MOL2 format, chain L [auth A] MOL2 format, chain M [auth A]	G [auth L], H [auth L], K [auth H], L [auth A], M [auth A]	GLYCEROL C₃ H₈ O₃ PEDCQBHIVMGVHV-UHFFFAOYSA-N		Interactions Focus chain G [auth L] Focus chain H [auth L] Focus chain K [auth H] Focus chain L [auth A] Focus chain M [auth A] Interactions & Density Focus chain G [auth L] Focus chain H [auth L] Focus chain K [auth H] Focus chain L [auth A] Focus chain M [auth A]
CL Query on CL Download Ideal Coordinates CCD File SDF format, chain I [auth L] MOL2 format, chain I [auth L]	I [auth L]	CHLORIDE ION Cl VEXZGXHMUGYJMC-UHFFFAOYSA-M		Interactions Focus chain I [auth L] Interactions & Density Focus chain I [auth L]