2PUQ
Crystal structure of active site inhibited coagulation factor VIIA in complex with soluble tissue factor
- PDB DOI: https://doi.org/10.2210/pdb2PUQ/pdb
- Entry: 2PUQ supersedes: 2PMM
- Classification: HYDROLASE/HYDROLASE INHIBITOR
- Organism(s): Homo sapiens
- Expression System: Cricetulus griseus, Escherichia coli
- Mutation(s): No
- Deposited: 2007-05-09 Released: 2007-05-22
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.05 Å
- R-Value Free: 0.273
- R-Value Work: 0.228
- R-Value Observed: 0.231
This is version 1.5 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 |
| Coagulation factor VII | A [auth L] | 94 | Homo sapiens | Mutation(s): 0 Gene Names: F7 EC: 3.4.21.21 |  |
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for P08709 (Homo sapiens) Explore P08709 Go to UniProtKB: P08709 | |||||
PHAROS: P08709 GTEx: ENSG00000057593 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P08709 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 2 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| Coagulation factor VII | B [auth H] | 254 | Homo sapiens | Mutation(s): 0 Gene Names: F7 EC: 3.4.21.21 |  |
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for P08709 (Homo sapiens) Explore P08709 Go to UniProtKB: P08709 | |||||
PHAROS: P08709 GTEx: ENSG00000057593 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P08709 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 3 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| Tissue factor | C [auth T] | 204 | Homo sapiens | Mutation(s): 0 Gene Names: ACE |  |
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for P13726 (Homo sapiens) Explore P13726 Go to UniProtKB: P13726 | |||||
PHAROS: P13726 GTEx: ENSG00000117525 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P13726 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Find similar proteins by: Sequence | 3D Structure
Entity ID: 4 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| TRP-TYR-THR-ARG CHLOROMETHYLKETONE INHIBITOR | D [auth I] | 5 | N/A | Mutation(s): 0 |  |
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 3 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| BGC Query on BGC | E [auth L] | beta-D-glucopyranose C6 H12 O6 WQZGKKKJIJFFOK-VFUOTHLCSA-N |  | ||
| FUC Query on FUC | F [auth L] | alpha-L-fucopyranose C6 H12 O5 SHZGCJCMOBCMKK-SXUWKVJYSA-N |  | ||
| CA Query on CA | G [auth H] | CALCIUM ION Ca BHPQYMZQTOCNFJ-UHFFFAOYSA-N |  | ||
| Modified Residues 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Type | Formula | 2D Diagram | Parent |
| AR7 Query on AR7 | D [auth I] | PEPTIDE-LIKE | C6 H17 N4 O2 |  | ARG |
Biologically Interesting Molecules (External Reference) 1 Unique
Entity ID: 4 | |||||
|---|---|---|---|---|---|
| ID | Chains | Name | Type/Class | 2D Diagram | 3D Interactions |
| PRD_000285 Query on PRD_000285 | D [auth I] | L-tryptophyl-L-tyrosyl-N-[(1S)-4-{[amino(iminio)methyl]amino}-1-(chloroacetyl)butyl]-L-threoninamide | Peptide-like / Inhibitor |  | |
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.05 Å
- R-Value Free: 0.273
- R-Value Work: 0.228
- R-Value Observed: 0.231
- Space Group: P 1 21 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 78.312 | α = 90 |
| b = 68.827 | β = 90.74 |
| c = 78.732 | γ = 90 |
| Software Name | Purpose |
|---|---|
| REFMAC | refinement |
| PDB_EXTRACT | data extraction |
| XDS | data scaling |
| XDS | data reduction |
| PHASER | phasing |
Entry History
Deposition Data
- Released Date: 2007-05-22 Deposition Author(s): Bjelke, J.R., Rasmussen, H.B.
- This entry supersedes: 2PMM
Revision History (Full details and data files)
- Version 1.0: 2007-05-22
Type: Initial release - Version 1.1: 2008-05-01
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: 2012-12-12
Changes: Other - Version 1.4: 2020-07-29
Type: Remediation
Reason: Carbohydrate remediation
Changes: Advisory, Data collection, Derived calculations, Structure summary - Version 1.5: 2023-08-30
Changes: Advisory, Data collection, Database references, Refinement description, Structure summary
