Structure of PDB 1azx Chain L Binding Site BS02

Receptor Information
>1azx Chain L (length=414) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VDICTAKPRDIPMNPMCIYRSKIPEATNRRVWELSKANSRFATTFYQHLA
DSKNDNDNIFLSPLSISTAFAMTKLGACNDTLQQLMEVFKFDTISEKTSD
QIHFFFAKLNCRLYRKANKSSKLVSANRLFGDKSLTFNETYQDISELVYG
AKLQPLDFKENAEQSRAAINKWVSNKTEGRITDVIPSEAINELTVLVLVN
TIYFKGLWKSKFSPENTRKELFYKADGESCSASMMYQEGKFRYRRVAEGT
QVLELPFKGDDITMVLILPKPEKSLAKVEKELTPEVLQEWLDELEEMMLV
VHMPRFRIEDGFSLKEQLQDMGLVDLFSPEKSKLPGIVAEGRDDLYVSDA
FHKAFLEVNEEGSEAAASTAVVIAGRSLNPNRVTFKANRPFLVFIREVPL
NTIIFMGRVANPCV
Ligand information
Ligand IDZ9K
InChIInChI=1S/C7H12O10S/c1-15-3-2(8)4(6(9)10)16-7(11)5(3)17-18(12,13)14/h2-5,7-8,11H,1H3,(H,9,10)(H,12,13,14)/t2-,3-,4+,5+,7+/m0/s1
InChIKeyANYCAUYSISUNKI-QVVHOTIMSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6COC1C(C(OC(C1OS(=O)(=O)O)O)C(=O)O)O
OpenEye OEToolkits 1.7.6CO[C@H]1[C@@H]([C@@H](O[C@H]([C@@H]1OS(=O)(=O)O)O)C(=O)O)O
CACTVS 3.370CO[CH]1[CH](O)[CH](O[CH](O)[CH]1O[S](O)(=O)=O)C(O)=O
ACDLabs 12.01O=C(O)C1OC(O)C(OS(=O)(=O)O)C(OC)C1O
CACTVS 3.370CO[C@H]1[C@H](O)[C@@H](O[C@@H](O)[C@@H]1O[S](O)(=O)=O)C(O)=O
FormulaC7 H12 O10 S
Name3-O-methyl-2-O-sulfo-alpha-L-idopyranuronic acid
ChEMBL
DrugBank
ZINC
PDB chain1azx Chain B Residue 2 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1azx The anticoagulant activation of antithrombin by heparin.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		R13 R47 K114
Binding residue
(residue number reindexed from 1)		R9 R30 K97
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0002020 protease binding
GO:0004867 serine-type endopeptidase inhibitor activity
GO:0005515 protein binding
GO:0008201 heparin binding
GO:0042802 identical protein binding
Biological Process
GO:0007596 blood coagulation
GO:0010466 negative regulation of peptidase activity
GO:0030193 regulation of blood coagulation
Cellular Component
GO:0005576 extracellular region
GO:0005615 extracellular space
GO:0005788 endoplasmic reticulum lumen
GO:0005886 plasma membrane
GO:0062023 collagen-containing extracellular matrix
GO:0070062 extracellular exosome
GO:0072562 blood microparticle

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1azx, PDBe:1azx, PDBj:1azx
PDBsum1azx
PubMed9405673
UniProtP01008|ANT3_HUMAN Antithrombin-III (Gene Name=SERPINC1)

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