Structure of PDB 3kih Chain B Binding Site BS01

Receptor Information
>3kih Chain B (length=95) Species: 32630 (synthetic construct) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GWSNFKFLFLSPGGELYGVLNDKIYKGTPPTHDNDNWLGRAKKIGDGGWN
QFQFLFFDPNGYLYAVSKDKLYKAPPPQSDTDNWIARATEIGSGG
Ligand information
Ligand IDGDL
InChIInChI=1S/C8H13NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-7,10,12-13H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-/m1/s1
InChIKeyNELQYZRSPDCGRQ-DBRKOABJSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)OC1=O
OpenEye OEToolkits 1.5.0CC(=O)NC1C(C(C(OC1=O)CO)O)O
OpenEye OEToolkits 1.5.0CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1=O)CO)O)O
ACDLabs 10.04O=C1OC(CO)C(O)C(O)C1NC(=O)C
CACTVS 3.341CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)OC1=O
FormulaC8 H13 N O6
Name2-(acetylamido)-2-deoxy-D-glucono-1,5-lactone;
2-ACETAMIDO-2-DEOXY-D-GLUCONO-1,5-LACTONE
ChEMBL
DrugBankDB02813
ZINCZINC000005438581
PDB chain3kih Chain B Residue 98 [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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PDB3kih Metamorphic proteins mediate evolutionary transitions of structure
Resolution2.49 Å
Binding residue
(original residue number in PDB)		G47 D48 G49 W51 D82 N85 W86 I87
Binding residue
(residue number reindexed from 1)		G45 D46 G47 W49 D80 N83 W84 I85
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:3kih, PDBe:3kih, PDBj:3kih
PDBsum3kih
PubMed20368465
UniProtQ27084|TAL2_TACTR Tachylectin-2

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