Structure of PDB 5hgc Chain A Binding Site BS02

Receptor Information
>5hgc Chain A (length=373) Species: 59729 (Taeniopygia guttata) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SNAEAMAALKLVPNNADFAFQFFREVTQEAPNKNIFYSPVSISTAFAMLA
LGARSATQSQILEGLAFNLTEIQEKEIHEGFHNLIHMLNHPEGGVQLNMM
NAIFVTAALALLRKFLDDAKALYQLEAFTTDFNKPTEAEKQINDYIERKT
HGKITNLVKDMDPQTVMLLASFVYFKGSWEKPFEAEHTEEREFFVDAETT
VKVPMMYQMGRFDFYFDEELSCTVVRLHYNGSATAFLVLPAKGKMKQLEQ
TLDKETIQKWSDHLFQRFMNLYFPKFSISGSYEISNTLRKMGIVDVFTNQ
ADLSGITGSPDLKVSKVVHKASLDVDEKGTTAVEIMPISFPPTIEFSHPF
LMLIFDRDTNSTLFIGKIVNPTI
Ligand information
Ligand IDBDG
InChIInChI=1S/C6H14N2O4/c7-1-2-4(9)5(10)3(8)6(11)12-2/h2-6,9-11H,1,7-8H2/t2-,3-,4-,5-,6+/m1/s1
InChIKeySQTHUUHOUPJYLK-UKFBFLRUSA-N
SMILES
SoftwareSMILES
CACTVS 3.341NC[CH]1O[CH](O)[CH](N)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)N)O)O)N
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)N)O)O)N
CACTVS 3.341NC[C@H]1O[C@H](O)[C@H](N)[C@@H](O)[C@@H]1O
ACDLabs 10.04OC1C(O)C(OC(O)C1N)CN
FormulaC6 H14 N2 O4
Name2,6-diamino-2,6-dideoxy-alpha-D-glucopyranose;
O-2,6-DIAMINO-2,6-DIDEOXY-ALPHA-D-GLUCOPYRANOSE;
2,6-diamino-2,6-dideoxy-alpha-D-glucose;
2,6-diamino-2,6-dideoxy-D-glucose;
2,6-diamino-2,6-dideoxy-glucose
ChEMBL
DrugBank
ZINC
PDB chain5hgc Chain A Residue 505 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5hgc A Serpin structure
Resolution2.43 Å
Binding residue
(original residue number in PDB)
L71 K95 D138
Binding residue
(residue number reindexed from 1)
L51 K75 D118
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004867 serine-type endopeptidase inhibitor activity
Cellular Component
GO:0005615 extracellular space

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Molecular Function

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Cellular Component
External links
PDB RCSB:5hgc, PDBe:5hgc, PDBj:5hgc
PDBsum5hgc
PubMed
UniProtH0ZQY2

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