Structure of PDB 5nfg Chain A Binding Site BS01

Receptor Information
>5nfg Chain A (length=333) Species: 4265 (Cynara cardunculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RDSGSGIVALTNDRDTAYYGEIGIGTPPQNFAVIFDTGSSDLWVPSTKCD
TSLACVIHPRYDSGDSSTYKGNGTTASIQYGTGAIVGFYSQDSVEVGDLV
VEHQDFIETTEEDDTVFLKSEFDGILGLGFQEISAGKAVPVWYNMVNQGL
VEEAVFSFWLNRNVDEEEGGELVFGGVDPNHFRGNHTYVPVTRKGYWQFE
MGDVLIGDKSSGFCAGGCAAIADSGTSFFAGPTAIITQINQAIGAKESIV
DCNGISSMPNIAFTIGSKLFEVTPEQYIYKVGEGEAATCISGFTALDIMS
PQGPIWILGDMFMGPYHTVFDYGKLRVGFAEAV
Ligand information
Ligand IDMAN
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6+/m1/s1
InChIKeyWQZGKKKJIJFFOK-PQMKYFCFSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namealpha-D-mannopyranose;
alpha-D-mannose;
D-mannose;
mannose
ChEMBLCHEMBL365590
DrugBank
ZINCZINC000003860903
PDB chain5nfg Chain C Residue 6 [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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PDB5nfg Functional and structural characterization of synthetic cardosin B-derived rennet.
Resolution2.375 Å
Binding residue
(original residue number in PDB)		H147 N188
Binding residue
(residue number reindexed from 1)		H103 N144
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D80 S83 D85 W87 Y124 D267 T270
Catalytic site (residue number reindexed from 1) D36 S39 D41 W43 Y80 D223 T226
Enzyme Commision number 3.4.23.-
Gene Ontology
Molecular Function
GO:0004190 aspartic-type endopeptidase activity
Biological Process
GO:0006508 proteolysis

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:5nfg, PDBe:5nfg, PDBj:5nfg
PDBsum5nfg
PubMed28770303
UniProtQ9XFX4|CARDB_CYNCA Procardosin-B (Gene Name=cardB)

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