Structure of PDB 5a7v Chain A Binding Site BS02
Receptor Information
>5a7v Chain A (length=368) Species:
818
(Bacteroides thetaiotaomicron) [
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PASGQPSNDKKNVLPDWAFGGFERPQGANPVISPIENTKFYCPMTQDYVA
WESNDTFNPAATLHDGKIVVLYRAEDKSGVGIGHRTSRLGYATSSDGIHF
KREKTPVFYPDNDTQKKLEWPGGCEDPRIAVTAEGLYVMTYTQWNRHIPR
LAIATSRNLKDWTKHGPAFAKAYDGKFFNLGCKSGSILTEVVNGKQVIKK
IDGKYFMYWGEEHVFAATSEDLVNWTPYVNTDGSLRKLFSPRDGHFDSQL
TECGPPAIYTPKGIVLLYNGKNSASRGDKRYTANVYAAGQALFDANDPTR
FITRLDEPFFRPMDSFEKSGQYVDGTVFIEGMVYYKDKWYLYYGCADSKV
GMAIYNPKKPAAADPLPA
Ligand information
Ligand ID
MAN
InChI
InChI=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
InChIKey
WQZGKKKJIJFFOK-PQMKYFCFSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.341
OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341
OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0
C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O
ACDLabs 10.04
OC1C(O)C(OC(O)C1O)CO
Formula
C6 H12 O6
Name
alpha-D-mannopyranose;
alpha-D-mannose;
D-mannose;
mannose
ChEMBL
CHEMBL365590
DrugBank
ZINC
ZINC000003860903
PDB chain
5a7v Chain A Residue 1485 [
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Receptor-Ligand Complex Structure
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PDB
5a7v
The Gh130 Family of Mannoside Phosphorylases Contains Glycoside Hydrolases that Target Beta-1,2 Mannosidic Linkages in Candida Mannan
Resolution
1.35 Å
Binding residue
(original residue number in PDB)
R89 I98 E141 W160 K199
Binding residue
(residue number reindexed from 1)
R73 I82 E125 W144 K183
Annotation score
4
Enzymatic activity
Enzyme Commision number
?
Gene Ontology
Molecular Function
GO:0016740
transferase activity
GO:0016798
hydrolase activity, acting on glycosyl bonds
View graph for
Molecular Function
External links
PDB
RCSB:5a7v
,
PDBe:5a7v
,
PDBj:5a7v
PDBsum
5a7v
PubMed
26286752
UniProt
Q8A186
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