Structure of PDB 5yli Chain A Binding Site BS01

Receptor Information
>5yli Chain A (length=309) Species: 698758 (Amphibacillus xylanus NBRC 15112) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MEFIKGFTFGWDSQKGYFKTERAKESLRLMQERTASEYVIVALAALQDTA
HSTEVDFQGSHMVDDDELIELIDYAKSLGLKVILKPTVNCRNGTWRAHIN
FFDMDIPGEPTWDEWFESYINYQKHYAKIAEKTNCEMFVVGCEMVQAERR
EDKWRELIAEVRKDYRGLVTYNTDKYQEDNVKFWDALDVISSSGYYPIND
WDRQLDRIEAVVKQYDKPFFFVAAGCPSRSGSALLPNKWDLEGAINLQEQ
ADYYQVMFEKTASRSWVGGFGLWDWQTYLYDEKDATKNDDYGVFGKPAER
VIKAYYQSR
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 chain5yli Chain D Residue 1 [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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PDB5yli Structural insights into the catalytic mechanism of a novel glycoside hydrolase family 113 beta-1,4-mannanase from Amphibacillus xylanus
Resolution2.37 Å
Binding residue
(original residue number in PDB)		R96 E143 Y195 W273 Y291
Binding residue
(residue number reindexed from 1)		R96 E143 Y195 W273 Y291
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links