5T1M
Cetuximab Fab in complex with CQYDLSTRRLKC
- PDB DOI: https://doi.org/10.2210/pdb5T1M/pdb
- Classification: IMMUNE SYSTEM
- Organism(s): Mus musculus, Homo sapiens, synthetic construct
- Expression System: unidentified
- Mutation(s): No
- Deposited: 2016-08-19 Released: 2016-10-26
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.53 Å
- R-Value Free: 0.216
- R-Value Work: 0.153
- R-Value Observed: 0.156
This is version 2.2 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 |
| CETUXIMAB FAB LIGHT CHAIN | 213 | Mus musculus, Homo sapiens This entity is chimeric | Mutation(s): 0 |  | |
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
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 |
| CETUXIMAB FAB HEAVY CHAIN | 221 | Mus musculus, Homo sapiens This entity is chimeric | Mutation(s): 0 |  | |
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
Sequence AnnotationsExpand | |||||
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Find similar proteins by: Sequence | 3D Structure
Entity ID: 3 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| CYCLIC PEPTIDE CQYDLSTRRLKC | E, F, G [auth H] | 12 | synthetic construct | Mutation(s): 0 |  |
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
Sequence AnnotationsExpand | |||||
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Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| NAG Query on NAG | I [auth B], M [auth D] | 2-acetamido-2-deoxy-beta-D-glucopyranose C8 H15 N O6 OVRNDRQMDRJTHS-FMDGEEDCSA-N |  | ||
| PO4 Query on PO4 | H [auth A] J [auth B] K [auth B] L [auth C] N [auth D] | PHOSPHATE ION O4 P NBIIXXVUZAFLBC-UHFFFAOYSA-K |  | ||
| Modified Residues 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Type | Formula | 2D Diagram | Parent |
| PCA Query on PCA | B, D | L-PEPTIDE LINKING | C5 H7 N O3 |  | GLN |
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.53 Å
- R-Value Free: 0.216
- R-Value Work: 0.153
- R-Value Observed: 0.156
- Space Group: P 21 21 21
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 64.2 | α = 90 |
| b = 82.5 | β = 90 |
| c = 212.49 | γ = 90 |
| Software Name | Purpose |
|---|---|
| XDS | data reduction |
| XSCALE | data scaling |
| MOLREP | phasing |
| PHENIX | refinement |
Entry History
Deposition Data
- Released Date: 2016-10-26 Deposition Author(s): Bzymek, K.P., Williams, J.C.
Revision History (Full details and data files)
- Version 1.0: 2016-10-26
Type: Initial release - Version 1.1: 2016-11-09
Changes: Database references - Version 1.2: 2017-09-27
Changes: Data collection, Derived calculations - Version 1.3: 2017-12-06
Changes: Database references - Version 2.0: 2019-12-25
Changes: Derived calculations, Polymer sequence - Version 2.1: 2020-07-29
Type: Remediation
Reason: Carbohydrate remediation
Changes: Data collection, Derived calculations, Structure summary - Version 2.2: 2023-10-04
Changes: Data collection, Database references, Refinement description, Structure summary
