Structure of PDB 2r23 Chain B Binding Site BS02

Receptor Information
>2r23 Chain B (length=222) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EVKLVESGGGLVQSGGSLRLSCATSGFTFTDYYMSWVRQPPGKALEWLGF
IRNKANGYTTEYSPSVKGRFTISRDNSQSILYLQMNTLRAEDSATYYCAR
DHDGYYERFSYWGQGTLVTVSAAKTTPPSVYPLAPGSAANSMVTLGCLVK
GYFPEPVTVTWNSGSLSSGVHTFPAVLQSDLYTLSSSVTVPSSTWPSETV
TCNVAHPASSTKVDKKIVPRDC
Ligand information
Ligand IDKO1
InChIInChI=1S/C8H14O9/c9-1-2(10)5-3(11)4(12)6(13)8(16,17-5)7(14)15/h2-6,9-13,16H,1H2,(H,14,15)/t2-,3-,4+,5-,6+,8-/m1/s1
InChIKeyGQQWVQCNFJXTNV-CXERMUKYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC[C@@H](O)[C@H]1O[C@](O)([C@@H](O)[C@@H](O)[C@H]1O)C(O)=O
OpenEye OEToolkits 1.5.0C([C@H]([C@@H]1[C@@H]([C@@H]([C@@H]([C@@](O1)(C(=O)O)O)O)O)O)O)O
ACDLabs 10.04O=C(O)C1(O)OC(C(O)CO)C(O)C(O)C1O
CACTVS 3.341OC[CH](O)[CH]1O[C](O)([CH](O)[CH](O)[CH]1O)C(O)=O
OpenEye OEToolkits 1.5.0C(C(C1C(C(C(C(O1)(C(=O)O)O)O)O)O)O)O
FormulaC8 H14 O9
NameD-glycero-alpha-D-talo-oct-2-ulopyranosonic acid;
D-glycero-alpha-D-talo-oct-2-ulosonic acid;
D-glycero-D-talo-oct-2-ulosonic acid;
D-glycero-talo-oct-2-ulosonic acid
ChEMBL
DrugBank
ZINCZINC000058638802
PDB chain2r23 Chain C Residue 2 [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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PDB2r23 Exploration of specificity in germline monoclonal antibody recognition of a range of natural and synthetic epitopes.
Resolution1.65 Å
Binding residue
(original residue number in PDB)		Y33 F50 R52 E100A
Binding residue
(residue number reindexed from 1)		Y33 F50 R52 E107
Annotation score1
External links