Structure of PDB 8csd Chain B Binding Site BS02

Receptor Information
>8csd Chain B (length=393) Species: 577 (Raoultella terrigena) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GLAVFLPPYPFRGLKAPYLWMFYKYLHCATDSILFITGEDYLSVTDDEAQ
RARWEFDPASMASLGYELPNAQSMACHEYLTLDNAFYETLLSRHHHDPIK
SFSAFLTERIPDLETELHALLDSKKGIIDQIDTFISICNCPSLEHVARTL
GKEVMHIEIGPLRAPMYRNTAYLDFAGVNGGTEASARYEKCQAEFDIKAS
LGDLHNYFLEVLPPAEAATHSAAGVVLQVEDCSNLIAYNHDFTNISLLSY
VRQRYEKEDILVRAHPGSLFRLRDDVFTIDDSANSLAFINQCNEVFTINS
SVGLEAILTGKKTTVLGDCSYAFINELAGASATVNAAAFYLFSYLVPFDL
VFNQEYLKFRLGHPEEREIVGKHIEFYSAHSLSSLINEAISLE
Ligand information
Ligand IDKDO
InChIInChI=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
InChIKeyNNLZBVFSCVTSLA-HXUQBWEZSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC[C@@H](O)[C@H]1O[C@](O)(C[C@@H](O)[C@H]1O)C(O)=O
OpenEye OEToolkits 1.5.0C1[C@H]([C@H]([C@H](O[C@]1(C(=O)O)O)[C@@H](CO)O)O)O
OpenEye OEToolkits 1.5.0C1C(C(C(OC1(C(=O)O)O)C(CO)O)O)O
CACTVS 3.341OC[CH](O)[CH]1O[C](O)(C[CH](O)[CH]1O)C(O)=O
ACDLabs 10.04O=C(O)C1(O)OC(C(O)CO)C(O)C(O)C1
FormulaC8 H14 O8
Name3-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
DrugBankDB03548
ZINCZINC000005851513
PDB chain8csd Chain B Residue 502 [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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PDB8csd The retaining beta-Kdo glycosyltransferase WbbB uses a double-displacement mechanism with an intermediate adduct rearrangement step.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		R12 E158 R163 N179 C232 S233 H265
Binding residue
(residue number reindexed from 1)		R12 E158 R163 N179 C232 S233 H265
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0000271 polysaccharide biosynthetic process
GO:0015774 polysaccharide transport

View graph for
Biological Process
External links
PDB RCSB:8csd, PDBe:8csd, PDBj:8csd
PDBsum8csd
PubMed36271007
UniProtQ6U8B0

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