Structure of PDB 8csf Chain B Binding Site BS02

Receptor Information
>8csf Chain B (length=391) Species: 577 (Raoultella terrigena) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GLAVFLPPYPFRGLKAPYLWMFYKYLHCATDSILFITGEDYLSVTDAQRA
RWEFDPASMASLGYELPNAQSMACHEYLTLDNAFYETLLSRHHHDPIKSF
SAFLTERIPDLETELHALLDSKKGIIDQIDTFISICNCPSLEHVARTLGK
EVMHIEIGPLRAPMYRNTAYLDFAGVNGGTEASARYEKCQAEFDIKASLG
DLHNYFLEVLPPAEHSAAGVVLQVEDCSNLIAYNHDFTNISLLSYVRQRY
EKEDILVRAHPGSLFRLRDDVFTIDDSANSLAFINQCNEVFTINSSVGLE
AILTGKKTTVLGDCSYAFINELAGASATVNAAAFYLFSYLVPFDLVFNQE
YLKFRLGHPEEREIVGKHIEFYSADHSLSSLINEAISLEHH
Ligand information
Ligand IDC5P
InChIInChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
InChIKeyIERHLVCPSMICTF-XVFCMESISA-N
SMILES
SoftwareSMILES
CACTVS 3.341NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O
OpenEye OEToolkits 1.5.0C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)O)O)O
CACTVS 3.341NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O
OpenEye OEToolkits 1.5.0C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O
ACDLabs 10.04O=C1N=C(N)C=CN1C2OC(C(O)C2O)COP(=O)(O)O
FormulaC9 H14 N3 O8 P
NameCYTIDINE-5'-MONOPHOSPHATE
ChEMBLCHEMBL307679
DrugBankDB03403
ZINCZINC000003861744
PDB chain8csf Chain B Residue 501 [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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PDB8csf The retaining beta-Kdo glycosyltransferase WbbB uses a double-displacement mechanism with an intermediate adduct rearrangement step.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		R163 V226 L227 R263 A264 H265 P266 S285 S300 S301 V302
Binding residue
(residue number reindexed from 1)		R161 V221 L222 R258 A259 H260 P261 S280 S295 S296 V297
Annotation score4
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:8csf, PDBe:8csf, PDBj:8csf
PDBsum8csf
PubMed36271007
UniProtQ6U8B0

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