1FH8
CRYSTAL STRUCTURE OF THE XYLANASE CEX WITH XYLOBIOSE-DERIVED ISOFAGOMINE INHIBITOR
- PDB DOI: https://doi.org/10.2210/pdb1FH8/pdb
- Classification: HYDROLASE
- Organism(s): Cellulomonas fimi
- Expression System: Escherichia coli
- Mutation(s): No
- Deposited: 2000-07-31 Released: 2000-08-23
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.95 Å
- R-Value Free: 0.224
- R-Value Work: 0.190
- R-Value Observed: 0.190
This is version 2.0 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 |
| BETA-1,4-XYLANASE | 312 | Cellulomonas fimi | Mutation(s): 0 EC: 3.2.1.91 |  | |
UniProt | |||||
Find proteins for P07986 (Cellulomonas fimi) Explore P07986 Go to UniProtKB: P07986 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P07986 | ||||
Sequence AnnotationsExpand | |||||
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Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| XYP Query on XYP | B [auth A] | beta-D-xylopyranose C5 H10 O5 SRBFZHDQGSBBOR-KKQCNMDGSA-N |  | ||
| XIF Query on XIF | C [auth A] | PIPERIDINE-3,4-DIOL C5 H11 N O2 IZXWMVPZODQBRB-RFZPGFLSSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.95 Å
- R-Value Free: 0.224
- R-Value Work: 0.190
- R-Value Observed: 0.190
- Space Group: P 41 21 2
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 85.31 | α = 90 |
| b = 85.31 | β = 90 |
| c = 79.1 | γ = 90 |
| Software Name | Purpose |
|---|---|
| MAR345 | data collection |
| SCALEPACK | data scaling |
| CNS | refinement |
| CNS | phasing |
Entry History
Deposition Data
- Released Date: 2000-08-23 Deposition Author(s): Notenboom, V., Williams, S.J., Hoos, R., Withers, S.G., Rose, D.R.
Revision History (Full details and data files)
- Version 1.0: 2000-08-23
Type: Initial release - Version 1.1: 2008-04-27
Changes: Version format compliance - Version 1.2: 2011-07-13
Changes: Version format compliance - Version 1.3: 2017-10-04
Changes: Refinement description - Version 2.0: 2020-07-29
Type: Remediation
Reason: Carbohydrate remediation
Changes: Atomic model, Data collection, Derived calculations, Structure summary
