Structure of PDB 8a0c Chain B Binding Site BS04

Receptor Information
>8a0c Chain B (length=1113) Species: 727 (Haemophilus influenzae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VDKTWLFGSYAWQGNPKALFLYMLVNCKETHECWWVADNEESMKSIKKST
GLKNITFTDSEKAKELFPHADVYVTENFRESYPVYMNENIKVFNTWHGVG
LKHIELALGMNSVLAESIVRKYVRNYDIYKNNVLFLTTSQAMEDHFLEDM
AISKELIIRGKYPRNAVYGPNGIHTYDINTLLPKNKSQYSQTILFCPTYR
IGAIQGVLNSLLPDFAKLEEVCRHKNQLFIVKVHPFMKKDNYFAEMSEKY
KDSEYILFWNDDYDIYEAFNSIDLAIIDYSSIFYDLLDAGVEKFIRYVPD
LDEYQNDLELIGDYADLTEGRIVKSFQQLLNCLDNANIKIISTKRKQYLM
DYFFGFKKENKSMESLIADVDNCQLQPKSLKELHTFDIFDTLIRRSTLRP
FSIFDYVRDKAKASGIKFPLALTENWINVRNRAEHDVRDIMRKTTFERQS
DKIEITLDDIYTRLQKNLLLTDEQTDFLKQAEIEAEIAHVEPIQKRINYL
FSLKAKGHDVAMASDMYLPEDVIYKMLDRADTRLREIPLYLSSTIGYQKS
TGKLYQHIFFDLDYQYSRWTHYGDNKHADGSVPRRLGIQTAVHDIDDFIP
FENAMVNAMDNYNRYPAYQLATKMHRYRTQLVQENGFGNTLFETKYYNYA
YVGASFVPYINWAIKDAIKRGYETIYFISRDGHFLKQIADKIIEIRGYNV
KTKYIYGSRKAWRLPSFITKVDDETFWQFGNFVGMDSFEDLVKASYLSES
ELLSLFPEFESLRHAKHLRGEIAENIRKIFKNSPAYHEKVLAIAAEKRKM
VRQYIQQEINPKEKFAFVEFWGRGYTQDTFGRLLNDAFGKEVKNPFYYVR
SFTDDMGTSVRHNFILAPQNFSFFEPIFAQTPYDSIPDYYEEKGRIEPII
NHRDRSVSDLISEGLLKFTEDYLALNTQDEDYFDAALSQFNYQYQLNTPN
DQFICNVFSELKDNIGVEKPYAPALTLKQLESITSKQELDKLTQSIPISL
SKSDVKVIDYYNKIQKNYNLPAYNSTPMRKAYAVNPLEQYVWSTQVPFRV
LSLKQNSFYLDVSFAETTKRKDIFLKELNEIDVIAVDWLKGGVPRLLTEH
GYITAHKDWVKKS
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 chain8a0c Chain B Residue 1207 [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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PDB8a0c A multi-enzyme machine polymerizes the Haemophilus influenzae type b capsule.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		H96 R163 C195 P196 K231 V232 H233 Y265 S279 S280
Binding residue
(residue number reindexed from 1)		H97 R164 C196 P197 K232 V233 H234 Y266 S280 S281
Annotation score3
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016740 transferase activity
GO:0046872 metal ion binding
GO:0047355 CDP-glycerol glycerophosphotransferase activity
Biological Process
GO:0019350 teichoic acid biosynthetic process
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8a0c, PDBe:8a0c, PDBj:8a0c
PDBsum8a0c
PubMed37277468
UniProtQ2ERG0

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