Download MendeleyNitrosoalkane and Nitrosoarene Binding to Myoglobin and Heme Models
Copeland, D.M., West, A.H., Richter-Addo, G.B.To be published.
2NSS | pdb_00002nss
Nitrobenzene Modified Horse Heart Myoglobin
- PDB DOI: https://doi.org/10.2210/pdb2NSS/pdb
- Classification: OXYGEN STORAGE/TRANSPORT
- Organism(s): Equus caballus
- Mutation(s): No
- Deposited: 2006-11-06 Released: 2007-11-06
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.00 Å
- R-Value Free: 0.266 (Depositor)
- R-Value Work: 0.181 (Depositor), 0.190 (DCC)
- R-Value Observed: 0.189 (Depositor)
Starting Model: experimental
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This is version 1.2 of the entry. See complete history.
Literature
To be published.
Macromolecules
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 1 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| Myoglobin | 153 | Equus caballus | Mutation(s): 0 EC: 1.11.1 (UniProt), 1.7 (UniProt) |  | |
UniProt | |||||
Find proteins for P68082 (Equus caballus) Explore P68082 Go to UniProtKB: P68082 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P68082 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 3 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| HEM Query on HEM | D [auth A] | PROTOPORPHYRIN IX CONTAINING FE C34 H32 Fe N4 O4 KABFMIBPWCXCRK-RGGAHWMASA-L |  | ||
| NBE Query on NBE | E [auth A], F [auth A], G [auth A], H [auth A], I [auth A] | NITROSOBENZENE C6 H5 N O NLRKCXQQSUWLCH-UHFFFAOYSA-N |  | ||
| SO4 Query on SO4 | B [auth A], C [auth A] | SULFATE ION O4 S QAOWNCQODCNURD-UHFFFAOYSA-L |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.00 Å
- R-Value Free: 0.266 (Depositor)
- R-Value Work: 0.181 (Depositor), 0.190 (DCC)
- R-Value Observed: 0.189 (Depositor)
Space Group: P 1 21 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 35.248 | α = 90 |
| b = 28.847 | β = 105.63 |
| c = 65.983 | γ = 90 |
| Software Name | Purpose |
|---|---|
| d*TREK | data scaling |
| MOLREP | phasing |
| REFMAC | refinement |
| PDB_EXTRACT | data extraction |
| CrystalClear | data collection |
| d*TREK | data reduction |
Entry History
Deposition Data
- Released Date: 2007-11-06 Deposition Author(s): Copeland, D.M., West, A.H., Richter-Addo, G.B.
Revision History (Full details and data files)
- Version 1.0: 2007-11-06
Type: Initial release - Version 1.1: 2011-07-13
Changes: Advisory, Refinement description, Version format compliance - Version 1.2: 2023-08-30
Changes: Data collection, Database references, Derived calculations, Refinement description
