1C5L: Thrombin

Structural basis for selectivity of a small molecule, S1-binding, sub-micromolar inhibitor of urokinase type plasminogen activator. Determined by X-ray diffraction at 1.47 Å resolution. Released 22 Dec 2000.

Method
X-ray diffraction
Resolution
1.47 Å
Organisms
Homo sapiens, Hirudo medicinalis
Chains
3
Atoms
2,750
Mol. weight
35.3 kDa
Ligands
CA
Released
22 Dec 2000

Explore 1C5L in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

1C5L 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 H: 13 helices, 23 β-strands

ElementResiduesLengthSheet
β-strand1712
β-strand20-2123
α-helix22-232
β-strand30-3564
β-strand39-4684
β-strand51-5444
α-helix56-583
β-strand60-60A25
α-helix60B-60D3
β-strand60F-60G25
α-helix61-633
β-strand64-6854
β-strand7216
β-strand81-8334
β-strand85-9064
β-strand9517
β-strand10017
β-strand104-10854
α-helix111-1144
α-helix120-1212
β-strand12213
α-helix123-1242
α-helix126-129C7
β-strand135-14063
β-strand15416
β-strand156-16273
α-helix165-1706
α-helix175-1762
β-strand180-18343
α-helix186-186B3
β-strand18912
β-strand198-20253
β-strand207-21593
β-strand226-23053
α-helix232-2343
α-helix235-24511
Chain I: 2 helices, 0 β-strands
ElementResiduesLengthSheet
α-helix56-583
α-helix61-633
Chain L: 2 helices, 2 β-strands
ElementResiduesLengthSheet
β-strand1G11
β-strand1D11
α-helix8-103
α-helix14C-14I7

Molecules and chains

MoleculeChainsTypeLengthOrganismUniProt
thrombinLprotein36Homo sapiensP00734 (AlphaFold model)
thrombinHprotein259Homo sapiensP00734 (AlphaFold model)
HirudinIprotein10Hirudo medicinalisP01050 (AlphaFold model)
Sequence of entity 1 (L), FASTA
>1C5L_1 thrombin (chains L)
TFGSGEADCGLRPLFEKKSLEDKTERELLESYIDGR
Sequence of entity 2 (H), FASTA
>1C5L_2 thrombin (chains H)
IVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLL
VRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCL
PDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVLQVVNLPIVERPVCKDSTRIR
ITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFY
THVFRLKKWIQKVIDQFGE
Sequence of entity 3 (I), FASTA
>1C5L_3 Hirudin (chains I)
DFEEIPEEYL

Ligands and cofactors

IDNameFormulaCopies
CACalcium ionCa1

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

Primary citation

Structural basis for selectivity of a small molecule, S1-binding, submicromolar inhibitor of urokinase-type plasminogen activator. Katz, B.A., Mackman, R., Luong, C. et al. Chem Biol (2000) 7:299-312. DOI 10.1016/S1074-5521(00)00104-6 · PubMed

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

Browse structure collections

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