2FIR
Crystal structure of DFPR-VIIa/sTF
- PDB DOI: https://doi.org/10.2210/pdb2FIR/pdb
- Classification: HYDROLASE/HYDROLASE INHIBITOR
- Organism(s): Homo sapiens
- Expression System: Cricetulus griseus, Escherichia coli
- Mutation(s): No 
- Deposited: 2005-12-30 Released: 2006-07-11 
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.00 Å
- R-Value Free: 0.281 
- R-Value Work: 0.207 
This is version 1.4 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 Light chain | A [auth L] | 142 | 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 | |||||
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Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 2 | |||||
---|---|---|---|---|---|
Molecule | Chains | Sequence Length | Organism | Details | Image |
Coagulation factor VII Heavy Chain (EC 3.4.21.21) | B [auth H] | 254 | Homo sapiens | Mutation(s): 0  Gene Names: F7 | |
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] | 205 | Homo sapiens | Mutation(s): 0  Gene Names: F3 | |
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 | |||||
|
Small Molecules
Ligands 8 Unique | |||||
---|---|---|---|---|---|
ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
0G7 Query on 0G7 | N [auth H] | D-phenylalanyl-N-[(3S)-6-carbamimidamido-1-chloro-2-oxohexan-3-yl]-L-prolinamide C21 H31 Cl N6 O3 KWPACVJPAFGBEQ-IKGGRYGDSA-N | |||
GLC Query on GLC | D [auth L] | alpha-D-glucopyranose C6 H12 O6 WQZGKKKJIJFFOK-DVKNGEFBSA-N | |||
FUC Query on FUC | E [auth L] | alpha-L-fucopyranose C6 H12 O5 SHZGCJCMOBCMKK-SXUWKVJYSA-N | |||
ZN Query on ZN | Q [auth H], R [auth H] | ZINC ION Zn PTFCDOFLOPIGGS-UHFFFAOYSA-N | |||
CA Query on CA | G [auth L] H [auth L] J [auth L] K [auth L] M [auth L] | CALCIUM ION Ca BHPQYMZQTOCNFJ-UHFFFAOYSA-N | |||
CL Query on CL | S [auth H], T [auth H], U [auth T] | CHLORIDE ION Cl VEXZGXHMUGYJMC-UHFFFAOYSA-M | |||
MG Query on MG | F [auth L], I [auth L], L | MAGNESIUM ION Mg JLVVSXFLKOJNIY-UHFFFAOYSA-N | |||
NA Query on NA | P [auth H] | SODIUM ION Na FKNQFGJONOIPTF-UHFFFAOYSA-N |
Modified Residues 1 Unique | |||||
---|---|---|---|---|---|
ID | Chains | Type | Formula | 2D Diagram | Parent |
CGU Query on CGU | A [auth L] | L-PEPTIDE LINKING | C6 H9 N O6 | GLU |
Biologically Interesting Molecules (External Reference) 1 Unique
Entity ID: 8 | |||||
---|---|---|---|---|---|
ID | Chains | Name | Type/Class | 2D Diagram | 3D Interactions |
PRD_000021 (0G7) Query on PRD_000021 | N [auth H] | D-Phe-Pro-Arg chloromethylketone (PPACK) | Peptide-like / Inhibitor |
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.00 Å
- R-Value Free: 0.281 
- R-Value Work: 0.207 
- Space Group: P 21 21 21
Unit Cell:
Length ( Å ) | Angle ( ˚ ) |
---|---|
a = 70.02 | α = 90 |
b = 80.98 | β = 90 |
c = 126.33 | γ = 90 |
Software Name | Purpose |
---|---|
X-PLOR | model building |
X-PLOR | refinement |
HKL-2000 | data reduction |
SCALEPACK | data scaling |
X-PLOR | phasing |
Entry History 
Deposition Data
- Released Date: 2006-07-11  Deposition Author(s): Bajaj, S.P., Schmidt, A.E., Padmanabhan, K., Bajaj, M.S., Prevost, D., Schreuder, H.
Revision History (Full details and data files)
- Version 1.0: 2006-07-11
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: 2013-02-27
Changes: Other - Version 1.4: 2020-07-29
Type: Remediation
Reason: Carbohydrate remediation
Changes: Data collection, Derived calculations, Structure summary