Structure of PDB 2r2b Chain B Binding Site BS02
Receptor Information
>2r2b Chain B (length=214) [
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EVKLVESGGGLVQSGGSLRLSCATSGFTFTDYYMSWVRQPPGKALEWLGF
IRNKANGYTTEYSPSVKGRFTISRDNSQSILYLQMNTLRAEDSATYYCAR
DHDGYYERFSYWGQGTLVTVSAAKTTPPSVYPLAPSMVTLGCLVKGYFPE
PVTVTWNSGSLSSGVHTFPAVLQSDLYTLSSSVTVPSSTWPSETVTCNVA
HPASSTKVDKKIVP
Ligand information
Ligand ID
KDO
InChI
InChI=1S/C8H14O8/c9-2-4(11)6-5(12)3(10)1-8(15,16-6)7(13)14/h3-6,9-12,15H,1-2H2,(H,13,14)/t3-,4-,5-,6-,8-/m1/s1
InChIKey
NNLZBVFSCVTSLA-HXUQBWEZSA-N
SMILES
Software
SMILES
CACTVS 3.341
OC[C@@H](O)[C@H]1O[C@](O)(C[C@@H](O)[C@H]1O)C(O)=O
OpenEye OEToolkits 1.5.0
C1[C@H]([C@H]([C@H](O[C@]1(C(=O)O)O)[C@@H](CO)O)O)O
OpenEye OEToolkits 1.5.0
C1C(C(C(OC1(C(=O)O)O)C(CO)O)O)O
CACTVS 3.341
OC[CH](O)[CH]1O[C](O)(C[CH](O)[CH]1O)C(O)=O
ACDLabs 10.04
O=C(O)C1(O)OC(C(O)CO)C(O)C(O)C1
Formula
C8 H14 O8
Name
3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid;
3-deoxy-d-manno-oct-2-ulopyranosonic acid;
2-keto-3-deoxy-D-mannooctanoic acid;
3-deoxy-alpha-D-manno-oct-2-ulosonic acid;
3-deoxy-D-manno-oct-2-ulosonic acid;
3-deoxy-manno-oct-2-ulosonic acid
ChEMBL
DrugBank
DB03548
ZINC
ZINC000005851513
PDB chain
2r2b Chain C Residue 3 [
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Receptor-Ligand Complex Structure
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PDB
2r2b
Exploration of specificity in germline monoclonal antibody recognition of a range of natural and synthetic epitopes.
Resolution
1.6 Å
Binding residue
(original residue number in PDB)
Y33 R52 E100A
Binding residue
(residue number reindexed from 1)
Y33 R52 E107
Annotation score
1
External links
PDB
RCSB:2r2b
,
PDBe:2r2b
,
PDBj:2r2b
PDBsum
2r2b
PubMed
18272175
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