3BAI
Human Pancreatic Alpha Amylase with Bound Nitrate
- PDB DOI: https://doi.org/10.2210/pdb3BAI/pdb
- Classification: HYDROLASE
- Organism(s): Homo sapiens
- Expression System: Komagataella pastoris
- Mutation(s): No 
- Deposited: 2007-11-07 Released: 2008-03-25 
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.90 Å
- R-Value Free: 0.208 
- R-Value Work: 0.169 
This is version 2.2 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 |
Pancreatic alpha-amylase | 496 | Homo sapiens | Mutation(s): 0  Gene Names: AMY2A EC: 3.2.1.1 | ||
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for P04746 (Homo sapiens) Explore P04746  Go to UniProtKB:  P04746 | |||||
PHAROS:  P04746 GTEx:  ENSG00000243480  | |||||
Entity Groups   | |||||
Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
UniProt Group | P04746 | ||||
Sequence AnnotationsExpand | |||||
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Small Molecules
Ligands 3 Unique | |||||
---|---|---|---|---|---|
ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
NAG Query on NAG | B [auth A] | 2-acetamido-2-deoxy-beta-D-glucopyranose C8 H15 N O6 OVRNDRQMDRJTHS-FMDGEEDCSA-N | |||
NO3 Query on NO3 | C [auth A] | NITRATE ION N O3 NHNBFGGVMKEFGY-UHFFFAOYSA-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 |
PCA Query on PCA | A | L-PEPTIDE LINKING | C5 H7 N O3 | GLN |
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.90 Å
- R-Value Free: 0.208 
- R-Value Work: 0.169 
- Space Group: P 21 21 21
Unit Cell:
Length ( Å ) | Angle ( ˚ ) |
---|---|
a = 52.99 | α = 90 |
b = 69.11 | β = 90 |
c = 132.2 | γ = 90 |
Software Name | Purpose |
---|---|
MAR345dtb | data collection |
CNS | refinement |
DENZO | data reduction |
SCALEPACK | data scaling |
CNS | phasing |
Entry History 
Deposition Data
- Released Date: 2008-03-25  Deposition Author(s): Fredriksen, J.R., Maurus, R., Brayer, G.D.
Revision History (Full details and data files)
- Version 1.0: 2008-03-25
Type: Initial release - Version 1.1: 2011-07-13
Changes: Non-polymer description, Version format compliance - Version 2.0: 2019-12-25
Changes: Database references, Derived calculations, Polymer sequence - Version 2.1: 2020-07-29
Type: Remediation
Reason: Carbohydrate remediation
Changes: Data collection, Derived calculations, Structure summary - Version 2.2: 2023-08-30
Changes: Data collection, Database references, Refinement description, Structure summary