Structure of PDB 7exo Chain A Binding Site BS01

Receptor Information
>7exo Chain A (length=207) Species: 243232 (Methanocaldococcus jannaschii DSM 2661) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PINSSQWIANGNASIFPDKLLLTTDDYGEAGSVWYYKPVNLSEDLVVEFY
AYLGDNPDGADGITFTLQSLGTNELGGTGGDLGYGGISPSVAVEVDTWLN
DFDAPATTDHIAIDVNGNINHTYNSLTYPTPNPYDLGNVEDGREHLIKIV
WNATTKTLQVYFDGNLSLTWNKDITQIIGNSAYFGFTGGTGGAKNLQYVK
PIYVKNG
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 chain7exo Chain A Residue 902 [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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PDB7exo Crystal structure of an L-type lectin domain from archaea.
Resolution1.75 Å
Binding residue
(original residue number in PDB)		A70 D71 G90 W108 G201 G202 A203
Binding residue
(residue number reindexed from 1)		A60 D61 G80 W98 G191 G192 A193
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:7exo, PDBe:7exo, PDBj:7exo
PDBsum7exo
PubMed36301308
UniProtQ58791|Y1396_METJA Uncharacterized protein MJ1396 (Gene Name=MJ1396)

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