Download MendeleySerpins and the design of peptides to block intermolecular beta-linkages
Zhou, A., Huntington, J.A., Lomas, D.A., Stein, P.E., Carrell, R.W.To be published.
1R1L
Structure of dimeric antithrombin complexed with a P14-P9 reactive loop peptide and an exogenous tripeptide (formyl-norleucine-LF)
- PDB DOI: https://doi.org/10.2210/pdb1R1L/pdb
- Classification: HYDROLASE/HYDROLASE INHIBITOR
- Organism(s): Homo sapiens
- Mutation(s): No
- Deposited: 2003-09-24 Released: 2004-10-05
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.70 Å
- R-Value Free: 0.249
- R-Value Work: 0.204
This is version 1.5 of the entry. See complete history.
Literature
To be published.
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 |
| Antithrombin P14-P9 peptide | 7 | N/A | Mutation(s): 0 |  | |
Sequence AnnotationsExpand | |||||
| |||||
Find similar proteins by: Sequence | 3D Structure
Small Molecules
| Ligands 3 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| NAG Query on NAG | E [auth L] F [auth L] G [auth I] H [auth I] I | 2-acetamido-2-deoxy-beta-D-glucopyranose C8 H15 N O6 OVRNDRQMDRJTHS-FMDGEEDCSA-N |  | ||
| GOL Query on GOL | L [auth C] | GLYCEROL C3 H8 O3 PEDCQBHIVMGVHV-UHFFFAOYSA-N |  | ||
| FOR Query on FOR | M [auth D] | FORMYL GROUP C H2 O WSFSSNUMVMOOMR-UHFFFAOYSA-N |  | ||
| Modified Residues 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Type | Formula | 2D Diagram | Parent |
| NLE Query on NLE | D | L-PEPTIDE LINKING | C6 H13 N O2 |  | LEU |
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.70 Å
- R-Value Free: 0.249
- R-Value Work: 0.204
- Space Group: P 1 21 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 69.171 | α = 90 |
| b = 100.421 | β = 104.29 |
| c = 87.198 | γ = 90 |
| Software Name | Purpose |
|---|---|
| MOSFLM | data reduction |
| TRUNCATE | data reduction |
| CNS | refinement |
| CCP4 | data scaling |
| CNS | phasing |
Entry History
Deposition Data
- Released Date: 2004-10-05 Deposition Author(s): Zhou, A., Huntington, J.A., Lomas, D.A., Stein, P.E., Carrell, R.W.
Revision History (Full details and data files)
- Version 1.0: 2004-10-05
Type: Initial release - Version 1.1: 2008-04-29
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 1.3: 2020-07-29
Type: Remediation
Reason: Carbohydrate remediation
Changes: Advisory, Data collection, Derived calculations, Structure summary - Version 1.4: 2023-08-23
Changes: Data collection, Database references, Refinement description, Structure summary - Version 1.5: 2023-11-15
Changes: Data collection
