› 1r1l

X-ray diffraction
2.7Å resolution

Structure of dimeric antithrombin complexed with a P14-P9 reactive loop peptide and an exogenous tripeptide (formyl-norleucine-LF)

Released:
DOI: 10.2210/pdb1r1l/pdb
PDB entry 1r1l coloured by chain, front view.
PDB entry 1r1l coloured by chain, side view.
PDB entry 1r1l coloured by chain, top view.
Source organism: Homo sapiens
Entry authors: Zhou A, Huntington JA, Lomas DA, Stein PE, Carrell RW

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
hetero tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-133783 (preferred)
Entry contents:
3 distinct polypeptide molecules
Macromolecules (3 distinct):
Antithrombin-III Chains: I, L
Molecule details ›
Chains: I, L
Length: 432 amino acids
Theoretical weight: 49.1 KDa
Source organism: Homo sapiens
UniProt:
  • Canonical: P01008 (Residues: 33-464; Coverage: 100%)
Gene names: AT3, PRO0309, SERPINC1
Sequence domains: Serpin (serine protease inhibitor)
Structure domains:
Antithrombin P14-P9 peptide Chain: C
Molecule details ›
Chain: C
Length: 7 amino acids
Theoretical weight: 561 Da
Source organism: Homo sapiens
Expression system: Not provided
EXOGENOUS TRIPEPTIDE formyl-(NLE)LF Chain: D
Molecule details ›
Chain: D
Length: 3 amino acids
Theoretical weight: 392 Da
Source organism: Homo sapiens
Expression system: Not provided

Ligands and Environments

3 bound ligands:
Ligand NAG 7 x NAG
Ligand GOL 1 x GOL
Ligand FOR 1 x FOR
1 modified residue:
Ligand NLE 1 x NLE

Experiments and Validation Details

Entry percentile scores
X-ray source: SRS BEAMLINE PX14.2
Spacegroup: P21
Unit cell:
a: 69.171Å b: 100.421Å c: 87.198Å
α: 90° β: 104.29° γ: 90°
R-values:
R R work R free
0.204 0.204 0.249
Expression system: Not provided

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