3Q7F
Cryptococcus neoformans protein farnesyltransferase in complex with FPP and ethylenediamine inhibitor 1
- PDB DOI: https://doi.org/10.2210/pdb3Q7F/pdb
- Classification: TRANSFERASE/TRANSFERASE INHIBITOR
- Organism(s): Cryptococcus neoformans var. grubii H99
- Expression System: Escherichia coli
- Mutation(s): No
- Deposited: 2011-01-04 Released: 2011-08-03
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.20 Å
- R-Value Free: 0.213
- R-Value Work: 0.191
- R-Value Observed: 0.192
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 |
| Farnesyltransferase alpha subunit | 349 | Cryptococcus neoformans var. grubii H99 | 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 |
| Farnesyltransferase beta subunit | 520 | Cryptococcus neoformans var. grubii H99 | Mutation(s): 0 |  | |
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
Sequence AnnotationsExpand | |||||
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Oligosaccharides
Small Molecules
| Ligands 5 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| ED2 Query on ED2 | L [auth B] | N-benzyl-N-(2-{(4-cyanophenyl)[(1-methyl-1H-imidazol-5-yl)methyl]amino}ethyl)-1-methyl-1H-imidazole-4-sulfonamide C25 H27 N7 O2 S IDHGAQOVWWBGFK-UHFFFAOYSA-N |  | ||
| FPP Query on FPP | J [auth B] | FARNESYL DIPHOSPHATE C15 H28 O7 P2 VWFJDQUYCIWHTN-YFVJMOTDSA-N |  | ||
| 3CX Query on 3CX | G [auth B], H [auth B], I [auth B] | (2S)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid C9 H19 N O4 S INEWUCPYEUEQTN-VIFPVBQESA-N |  | ||
| SO4 Query on SO4 | K [auth B] | SULFATE ION O4 S QAOWNCQODCNURD-UHFFFAOYSA-L |  | ||
| ZN Query on ZN | F [auth B] | ZINC ION Zn PTFCDOFLOPIGGS-UHFFFAOYSA-N |  | ||
Biologically Interesting Molecules (External Reference) 1 Unique
Entity ID: 3 | |||||
|---|---|---|---|---|---|
| ID | Chains | Name | Type/Class | 2D Diagram | 3D Interactions |
| PRD_900003 Query on PRD_900003 | C, D, E | sucrose | Oligosaccharide / Nutrient |  | |
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.20 Å
- R-Value Free: 0.213
- R-Value Work: 0.191
- R-Value Observed: 0.192
- Space Group: P 43 21 2
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 143.58 | α = 90 |
| b = 143.58 | β = 90 |
| c = 130.723 | γ = 90 |
| Software Name | Purpose |
|---|---|
| HKL-2000 | data collection |
| PHASER | phasing |
| REFMAC | refinement |
| HKL-2000 | data reduction |
| HKL-2000 | data scaling |
Entry History
Deposition Data
- Released Date: 2011-08-03 Deposition Author(s): Hast, M.A., Beese, L.S.
Revision History (Full details and data files)
- Version 1.0: 2011-08-03
Type: Initial release - Version 1.1: 2011-10-19
Changes: Database references - Version 2.0: 2020-07-29
Type: Remediation
Reason: Carbohydrate remediation
Changes: Advisory, Atomic model, Data collection, Derived calculations, Non-polymer description, Structure summary - Version 2.1: 2024-02-21
Changes: Data collection, Database references, Structure summary
