1S78
Insights into ErbB signaling from the structure of the ErbB2-pertuzumab complex
- PDB DOI: https://doi.org/10.2210/pdb1S78/pdb
- Classification: TRANSFERASE
- Organism(s): Homo sapiens, Mus musculus
- Expression System: Cricetulus griseus, Escherichia coli
- Mutation(s): No 
- Deposited: 2004-01-29 Released: 2004-04-27 
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 3.25 Å
- R-Value Free: 0.268 
- R-Value Work: 0.224 
- R-Value Observed: 0.227 
This is version 2.1 of the entry. See complete history. 
Macromolecules
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 1 | |||||
---|---|---|---|---|---|
Molecule | Chains | Sequence Length | Organism | Details | Image |
Receptor protein-tyrosine kinase erbB-2 | 624 | Homo sapiens | Mutation(s): 0  Gene Names: ERBB2, HER2, NGL, NEU EC: 2.7.1.112 | ||
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for P04626 (Homo sapiens) Explore P04626  Go to UniProtKB:  P04626 | |||||
PHAROS:  P04626 GTEx:  ENSG00000141736  | |||||
Entity Groups   | |||||
Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
UniProt Group | P04626 | ||||
Sequence AnnotationsExpand | |||||
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Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 2 | |||||
---|---|---|---|---|---|
Molecule | Chains | Sequence Length | Organism | Details | Image |
Pertuzumab Fab light chain | 214 | Mus musculus | Mutation(s): 0  | ||
UniProt | |||||
Find proteins for Q7Z3Y4 (Homo sapiens) Explore Q7Z3Y4  Go to UniProtKB:  Q7Z3Y4 | |||||
Entity Groups   | |||||
Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
UniProt Group | Q7Z3Y4 | ||||
Sequence AnnotationsExpand | |||||
|
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 3 | |||||
---|---|---|---|---|---|
Molecule | Chains | Sequence Length | Organism | Details | Image |
Pertuzumab Fab heavy chain | 226 | Mus musculus | Mutation(s): 0  | ||
Entity Groups   | |||||
Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
Sequence AnnotationsExpand | |||||
|
Oligosaccharides
Small Molecules
Ligands 1 Unique | |||||
---|---|---|---|---|---|
ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
NAG Query on NAG | L [auth A], M [auth B] | 2-acetamido-2-deoxy-beta-D-glucopyranose C8 H15 N O6 OVRNDRQMDRJTHS-FMDGEEDCSA-N |
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 3.25 Å
- R-Value Free: 0.268 
- R-Value Work: 0.224 
- R-Value Observed: 0.227 
- Space Group: P 43 21 2
Unit Cell:
Length ( Å ) | Angle ( ˚ ) |
---|---|
a = 139.412 | α = 90 |
b = 139.412 | β = 90 |
c = 356.873 | γ = 90 |
Software Name | Purpose |
---|---|
REFMAC | refinement |
DENZO | data reduction |
SCALEPACK | data scaling |
AMoRE | phasing |
Entry History 
Deposition Data
- Released Date: 2004-04-27  Deposition Author(s): Franklin, M.C., Carey, K.D., Vajdos, F.F., Leahy, D.J., de Vos, A.M., Sliwkowski, M.X.
Revision History (Full details and data files)
- Version 1.0: 2004-04-27
Type: Initial release - Version 1.1: 2008-04-29
Changes: Version format compliance - Version 1.2: 2011-07-13
Changes: Advisory, Version format compliance - Version 2.0: 2020-07-29
Type: Remediation
Reason: Carbohydrate remediation
Changes: Advisory, Atomic model, Data collection, Derived calculations, Structure summary - Version 2.1: 2023-08-23
Changes: Data collection, Database references, Refinement description, Structure summary