Structure of PDB 2gd4 Chain I Binding Site BS03

Receptor Information
>2gd4 Chain I (length=417) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VDICTAKPRDIPMNPMCIYRSPEQKIPEATNRRVWELSKANSRFATTFYQ
HLADSKNDNDNIFLSPLSISTAFAMTKLGACNDTLQQLMEVFKFDTISEK
TSDQIHFFFAKLNCRLYRKANKASKLVSANRLFGDKSLTFNETYQDISEL
VYGAKLQPLDFKENAEQSRAAINKWVSNKTEGRITDVIPSEAINELTVLV
LVNTIYFKGLWKSKFSPENTRKELFYKADGESCSASMMYQEGKFRYRRVA
EGTQVLELPFKGDDITMVLILPKPEKSLAKVEKELTPEVLQEWLDELEEM
MLVVHMPRFRIEDGFSLKEQLQDMGLVDLFSPAASALPGIVAEGRDDLYV
SDAFHKAFLEVNEEGSEAAASTAVVIAGRSLNPNRVTFKANRPFLVFIRE
VPLNTIIFMGRVANPCV
Ligand information
Ligand IDBDP
InChIInChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2-,3+,4-,6+/m0/s1
InChIKeyAEMOLEFTQBMNLQ-QIUUJYRFSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0[C@@H]1([C@@H]([C@H](O[C@H]([C@@H]1O)O)C(=O)O)O)O
OpenEye OEToolkits 1.7.0C1(C(C(OC(C1O)O)C(=O)O)O)O
CACTVS 3.370O[CH]1O[CH]([CH](O)[CH](O)[CH]1O)C(O)=O
ACDLabs 12.01O=C(O)C1OC(O)C(O)C(O)C1O
CACTVS 3.370O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O
FormulaC6 H10 O7
Namebeta-D-glucopyranuronic acid;
beta-D-glucuronic acid;
D-glucuronic acid;
glucuronic acid
ChEMBLCHEMBL1159524
DrugBankDB03156
ZINCZINC000004097543
PDB chain2gd4 Chain F Residue 4 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB2gd4 Antithrombin-S195A factor Xa-heparin structure reveals the allosteric mechanism of antithrombin activation.
Resolution3.3 Å
Binding residue
(original residue number in PDB)		N45 K125
Binding residue
(residue number reindexed from 1)		N31 K111
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004867 serine-type endopeptidase inhibitor activity
Biological Process
GO:0030193 regulation of blood coagulation
Cellular Component
GO:0005615 extracellular space

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2gd4, PDBe:2gd4, PDBj:2gd4
PDBsum2gd4
PubMed16619025
UniProtP01008|ANT3_HUMAN Antithrombin-III (Gene Name=SERPINC1)

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