2UUJ: Thrombin-hirugen-gw473178 ternary complex

Thrombin-hirugen-gw473178 ternary complex at 1.32A resolution. Determined by X-ray diffraction at 1.32 Å resolution. Released 4 Sept 2007.

Method
X-ray diffraction
Resolution
1.32 Å
Organisms
HOMO SAPIENS, HIRUDO MEDICINALIS
Chains
3
Atoms
2,779
Mol. weight
35.66 kDa
Ligands
CA, 896
Released
4 Sept 2007

Explore 2UUJ in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

2UUJ contains 17 α-helices and 25 β-strands across 3 chains. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain A: 2 helices, 0 β-strands

ElementResiduesLengthSheet
α-helix8-103
α-helix14C-14I7
Chain B: 13 helices, 25 β-strands
ElementResiduesLengthSheet
β-strand1711
β-strand20-2122
α-helix22-232
β-strand30-3563
β-strand39-4683
β-strand51-5443
α-helix56-583
β-strand60-60A24
α-helix60B-60D3
β-strand60F-60G24
α-helix61-633
β-strand64-6853
β-strand7215
β-strand81-8333
β-strand85-9063
β-strand9516
β-strand10016
β-strand104-10853
α-helix111-1144
β-strand11517
β-strand11817
α-helix120-1212
β-strand12212
α-helix126-129C7
β-strand135-14062
β-strand15415
β-strand156-16272
α-helix163-1642
α-helix165-1706
α-helix175-1762
β-strand180-18342
α-helix186-186B3
β-strand18911
β-strand198-20252
β-strand207-21372
β-strand226-23052
α-helix232-2343
α-helix235-24511
Chain H: 2 helices, 0 β-strands
ElementResiduesLengthSheet
α-helix56-605
α-helix61-633

Molecules and chains

MoleculeChainsTypeLengthOrganismUniProt
Human alpha thrombinAprotein36HOMO SAPIENSP00734 (AlphaFold model)
ProthrombinBprotein259HOMO SAPIENSP00734 (AlphaFold model)
Hirudin IHprotein10HIRUDO MEDICINALISP01050 (AlphaFold model)
Sequence of entity 1 (A), FASTA
>2UUJ_1 HUMAN ALPHA THROMBIN (chains A)
TFGSGEADCGLRPLFEKKSLEDKTERELLESYIDGR
Sequence of entity 2 (B), FASTA
>2UUJ_2 PROTHROMBIN (chains B)
IVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLL
VRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCL
PDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVLQVVNLPIVERPVCKDSTRIR
ITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFY
THVFRLKKWIQKVIDQFGE
Sequence of entity 3 (H), FASTA
>2UUJ_3 HIRUDIN I (chains H)
DFEEIPEEYL

Ligands and cofactors

IDNameFormulaCopies
CACalcium ionCa1
896N-ethyl-N-isopropyl-3-methyl-5-{[(2S)-2-(pyridin-4-ylamino)propyl]oxy}benzamideC21 H29 N3 O21

Water and common crystallization additives (NA) are not listed.

Primary citation

The Determination of Protonation States in Proteins. Ahmed, H.U., Blakeley, M.P., Cianci, M. et al. Acta Crystallogr D Biol Crystallogr (2007) 63:906. DOI 10.1107/S0907444907029976 · PubMed

Other PDB entries of the same protein (UniProt P00734 (AlphaFold model), which also has an AlphaFold model), best resolution first:

Browse structure collections

About this viewer

MolViewer shows 2UUJ directly in your browser with nothing to install. Switch between cartoon, ball-and-stick, spacefill and surface views, color by chain, secondary structure or B-factor, measure distances, angles and dihedrals, and share or embed the view.