Download MendeleyLigand recognition in C-lobe: The crystal structure of the complex of lactoferrin C-lobe with nicotinamide at 2.5 A resolution
Mir, R., Vikram, G., Singh, N., Kumar, S., Sinha, M., Sharma, S., Kaur, P., Singh, T.P.To be published.
2R9J | pdb_00002r9j
Ligand recognition in C-lobe: The crystal structure of the complex of lactoferrin C-lobe with nicotinamide at 2.5 A resolution
- PDB DOI: https://doi.org/10.2210/pdb2R9J/pdb
- Classification: METAL BINDING PROTEIN
- Organism(s): Bos taurus
- Mutation(s): No
- Deposited: 2007-09-13 Released: 2007-10-09
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.55 Å
- R-Value Free: 0.249 (Depositor)
- R-Value Work: 0.225 (Depositor)
Starting Model: experimental
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wwPDB Validation 3D Report Full Report
This is version 2.2 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 |
| Lactotransferrin' | 345 | Bos taurus | Mutation(s): 0 EC: 3.4.21 |  | |
UniProt | |||||
Find proteins for P24627 (Bos taurus) Explore P24627 Go to UniProtKB: P24627 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P24627 | ||||
Glycosylation | |||||
| Glycosylation Sites: 3 | |||||
Sequence AnnotationsExpand | |||||
| |||||
Oligosaccharides
Small Molecules
| Ligands 6 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| NAG Query on NAG | D [auth A] | 2-acetamido-2-deoxy-beta-D-glucopyranose C8 H15 N O6 OVRNDRQMDRJTHS-FMDGEEDCSA-N |  | ||
| NCA Query on NCA | J [auth A] | NICOTINAMIDE C6 H6 N2 O DFPAKSUCGFBDDF-UHFFFAOYSA-N |  | ||
| SO4 Query on SO4 | I [auth A] | SULFATE ION O4 S QAOWNCQODCNURD-UHFFFAOYSA-L |  | ||
| ZN Query on ZN | E [auth A], F [auth A] | ZINC ION Zn PTFCDOFLOPIGGS-UHFFFAOYSA-N |  | ||
| CO3 Query on CO3 | H [auth A] | CARBONATE ION C O3 BVKZGUZCCUSVTD-UHFFFAOYSA-L |  | ||
| FE Query on FE | G [auth A] | FE (III) ION Fe VTLYFUHAOXGGBS-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.55 Å
- R-Value Free: 0.249 (Depositor)
- R-Value Work: 0.225 (Depositor)
Space Group: P 1 21 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 63.33 | α = 90 |
| b = 50.34 | β = 107.65 |
| c = 65.91 | γ = 90 |
| Software Name | Purpose |
|---|---|
| DENZO | data reduction |
| AMoRE | phasing |
| CNS | refinement |
| AUTOMAR | data reduction |
| SCALEPACK | data scaling |
Entry History
Deposition Data
- Released Date: 2007-10-09 Deposition Author(s): Mir, R., Vikram, G., Singh, N., Kumar, S., Sinha, M., Sharma, S., Kaur, P., Singh, T.P.
Revision History (Full details and data files)
- Version 1.0: 2007-10-09
Type: Initial release - Version 1.1: 2011-07-13
Changes: Non-polymer description, 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: 2023-10-25
Changes: Data collection, Database references, Refinement description, Structure summary - Version 2.2: 2024-11-20
Changes: Structure summary
