1N2K
Crystal structure of a covalent intermediate of endogenous human arylsulfatase A
- PDB DOI: https://doi.org/10.2210/pdb1N2K/pdb
- Classification: HYDROLASE
- Organism(s): Homo sapiens
- Mutation(s): Yes 
- Deposited: 2002-10-23 Released: 2003-12-23 
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.75 Å
- R-Value Free: 0.239 
- R-Value Work: 0.202 
- R-Value Observed: 0.202 
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 |
ARYLSULFATASE A | 489 | Homo sapiens | Mutation(s): 1  EC: 3.1.6.8 | ||
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for P15289 (Homo sapiens) Explore P15289  Go to UniProtKB:  P15289 | |||||
PHAROS:  P15289 GTEx:  ENSG00000100299  | |||||
Entity Groups   | |||||
Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
UniProt Group | P15289 | ||||
Sequence AnnotationsExpand | |||||
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Oligosaccharides
Small Molecules
Ligands 2 Unique | |||||
---|---|---|---|---|---|
ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
NAG Query on NAG | C [auth A] | 2-acetamido-2-deoxy-beta-D-glucopyranose C8 H15 N O6 OVRNDRQMDRJTHS-FMDGEEDCSA-N | |||
CA Query on CA | D [auth A] | CALCIUM ION Ca BHPQYMZQTOCNFJ-UHFFFAOYSA-N |
Modified Residues 1 Unique | |||||
---|---|---|---|---|---|
ID | Chains | Type | Formula | 2D Diagram | Parent |
FGP Query on FGP | A | L-PEPTIDE LINKING | C3 H8 N O7 P | SER |
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.75 Å
- R-Value Free: 0.239 
- R-Value Work: 0.202 
- R-Value Observed: 0.202 
- Space Group: I 4 2 2
Unit Cell:
Length ( Å ) | Angle ( ˚ ) |
---|---|
a = 131.52 | α = 90 |
b = 131.52 | β = 90 |
c = 192.17 | γ = 90 |
Software Name | Purpose |
---|---|
DENZO | data reduction |
SCALEPACK | data scaling |
X-PLOR | model building |
X-PLOR | refinement |
X-PLOR | phasing |
Entry History 
Deposition Data
- Released Date: 2003-12-23  Deposition Author(s): Chruszcz, M., Laidler, P., Monkiewicz, M., Ortlund, E., Lebioda, L., Lewinski, K.
Revision History (Full details and data files)
- Version 1.0: 2003-12-23
Type: Initial release - Version 1.1: 2008-04-28
Changes: Version format compliance - Version 1.2: 2011-07-13
Changes: Non-polymer description, Version format compliance - Version 1.3: 2018-07-04
Changes: Data collection - Version 2.0: 2020-07-29
Type: Remediation
Reason: Carbohydrate remediation
Changes: Advisory, Atomic model, Data collection, Database references, Derived calculations, Non-polymer description, Structure summary