1JVQ
Crystal structure at 2.6A of the ternary complex between antithrombin, a P14-P8 reactive loop peptide, and an exogenous tetrapeptide
- PDB DOI: https://doi.org/10.2210/pdb1JVQ/pdb
- Classification: HYDROLASE/HYDROLASE INHIBITOR
- Organism(s): Homo sapiens
- Mutation(s): No
- Deposited: 2001-08-31 Released: 2003-06-03
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.60 Å
- R-Value Free: 0.258
- R-Value Work: 0.204
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 |
| ANTITHROMBIN-III | A [auth L], B [auth I] | 432 | Homo sapiens | Mutation(s): 0 |  |
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for P01008 (Homo sapiens) Explore P01008 Go to UniProtKB: P01008 | |||||
PHAROS: P01008 GTEx: ENSG00000117601 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P01008 | ||||
Sequence AnnotationsExpand | |||||
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Find similar proteins by: Sequence | 3D Structure
Entity ID: 2 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| P14-P8 reactive loop peptide | 8 | N/A | Mutation(s): 0 |  | |
Sequence AnnotationsExpand | |||||
| |||||
Find similar proteins by: Sequence | 3D Structure
Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| NAG Query on NAG | J [auth I], L [auth I] | 2-acetamido-2-deoxy-beta-D-glucopyranose C8 H15 N O6 OVRNDRQMDRJTHS-FMDGEEDCSA-N |  | ||
| NDG Query on NDG | E [auth L] F [auth L] G [auth L] H [auth L] I | 2-acetamido-2-deoxy-alpha-D-glucopyranose C8 H15 N O6 OVRNDRQMDRJTHS-PVFLNQBWSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.60 Å
- R-Value Free: 0.258
- R-Value Work: 0.204
- Space Group: P 1 21 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 69.144 | α = 90 |
| b = 100.622 | β = 104.42 |
| c = 87.157 | γ = 90 |
| Software Name | Purpose |
|---|---|
| MOSFLM | data reduction |
| TRUNCATE | data reduction |
| AMoRE | phasing |
| CNS | refinement |
| CCP4 | data scaling |
Entry History
Deposition Data
- Released Date: 2003-06-03 Deposition Author(s): Zhou, A., Huntington, J.A., Lomas, D.A., Carrell, R.W., Stein, P.E.
Revision History (Full details and data files)
- Version 1.0: 2003-06-03
Type: Initial release - Version 1.1: 2008-04-27
Changes: Version format compliance - Version 1.2: 2011-07-13
Changes: Atomic model, Database references, Derived calculations, Non-polymer description, Structure summary, 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: 2023-08-16
Changes: Data collection, Database references, Refinement description, Structure summary
