Structure of PDB 2zbl Chain D Binding Site BS01

Receptor Information
>2zbl Chain D (length=416) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKWFNTLSHNRWLEQETDRIFNFGKNAVVPTGFGWLGNKGQIKEEMGTHL
WITARMLHVYSVAASMGRPGAYDLVDHGIKAMNGALRDKKYGGWYACVND
QGVVDASKQGYQHFFALLGAASAVTTGHPEARKLLDYTIEVIEKYFWSEE
EQMCLESWDEAFSQTEDYRGGNANMHAVEAFLIVYDVTHDKKWLDRALRI
ASVIIHDVARNGDYRVNEHFDSQWNPIRDYNKDNPAHRFRAYGGTPGAWI
EWGRLMLHLHAALEARFETPPAWLLEDAKGLFHATIRDAWAPDGADGFVY
SVDWDGKPIVRERVRWPIVEAMGTAYALYTLTDDSQYEEWYQKWWDYCIK
YLMDYENGSWWQELDADNKVTTKVWDGKQDIYHLLHCLVIPRLPLAPGLA
PAVAAGLLDINAHHHH
Ligand information
Ligand IDBMA
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-RWOPYEJCSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC[C@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
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
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
Namebeta-D-mannopyranose;
beta-D-mannose;
D-mannose;
mannose
ChEMBL
DrugBank
ZINCZINC000003830679
PDB chain2zbl Chain D Residue 504 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2zbl Crystal structure of YihS in complex with D-mannose: structural annotation of Escherichia coli and Salmonella enterica yihS-encoded proteins to an aldose-ketose isomerase
Resolution1.6 Å
Binding residue
(original residue number in PDB)		R55 Y111 N172 H176 F239 E251 W316 H383
Binding residue
(residue number reindexed from 1)		R55 Y111 N172 H176 F239 E251 W316 H383
Annotation score2
Enzymatic activity
Enzyme Commision number 5.3.1.31: sulfoquinovose isomerase.
Gene Ontology
Molecular Function
GO:0016853 isomerase activity
GO:0061593 sulfoquinovose isomerase activity
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0061720 6-sulfoquinovose(1-) catabolic process to glycerone phosphate and 3-sulfolactaldehyde
GO:1902777 6-sulfoquinovose(1-) catabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2zbl, PDBe:2zbl, PDBj:2zbl
PDBsum2zbl
PubMed18328504
UniProtQ8ZKT7|SQUS_SALTY Sulfoquinovose isomerase (Gene Name=yihS)

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