1NZQ image
Deposition Date 2003-02-19
Release Date 2003-10-14
Last Version Date 2025-03-26
Entry Detail
PDB ID:
1NZQ
Keywords:
HYDROLASE/HYDROLASE INHIBITOR
Title:
D-Phe-Pro-Arg-Type Thrombin Inhibitor
Biological Source:
Source Organism(s):
Homo sapiens (Taxon ID: 9606)
Hirudo medicinalis (Taxon ID: )
Expression System(s):
Escherichia coli
Method Details:
Experimental Method:
X-RAY DIFFRACTION
Resolution:
2.18 Å
R-Value Free:
0.24
R-Value Work:
0.19
R-Value Observed:
0.19
Space Group:
C 1 2 1
1NZQ validation report missing
Macromolecular Entities
Structures with similar UniProt ID
Protein Blast
Polymer Type:polypeptide(L)
Molecule:Decapeptide Hirudin Analogue
Chain IDs:C (auth: D)
Chain Length:11
Number of Molecules:1
Biological Source:Hirudo medicinalis
UniProt ID:1NZQ
Structures with similar UniProt ID
Protein Blast
Polymer Type:polypeptide(L)
Molecule:Thrombin heavy chain
Gene (Uniprot):F2
Chain IDs:B (auth: H)
Chain Length:259
Number of Molecules:1
Biological Source:Homo sapiens
UniProt ID:P00734 Pfam ID:PF00089, PF09396 EC:3.4.21.5
Structures with similar UniProt ID
Protein Blast
Polymer Type:polypeptide(L)
Molecule:Thrombin light chain
Gene (Uniprot):F2
Chain IDs:A (auth: L)
Chain Length:36
Number of Molecules:1
Biological Source:Homo sapiens
UniProt ID:P00734 Pfam ID:PF00089, PF09396 EC:3.4.21.5
Modified Residue
Compound ID Chain ID Parent Comp ID Details 2D Image
ALC C ALA 2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID
HYP C PRO 4-HYDROXYPROLINE
SMF C PHE 4-SULFOMETHYL-L-PHENYLALANINE
Ligand Molecules
162
Peptide-like Molecules
PRD_000480
Primary Citation
D-Phe-Pro-Arg type thrombin inhibitors: unexpected selectivity by modification of the P1 moiety
Bioorg. Med. Chem. Lett. 13 2029 2033 (2003)
PMID: 12781189 DOI: 10.1016/S0960-894X(03)00236-1

Abstact

Synthesis of thrombin inhibitors and their binding mode to thrombin is described. Modification of the P1 moiety leads to an increased selectivity versus trypsin. The observed selectivity is discussed in view of their thrombin-inhibitor complex X-ray structures.

Legend

Protein

Chemical

Disease

Primary Citation of related structures
1PPB
1A5G
1O0D
Feedback Form
Name
Email
Institute
Feedback