Structure of PDB 8a0m Chain D Binding Site BS03

Receptor Information
>8a0m Chain D (length=975) Species: 727 (Haemophilus influenzae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VDKTWLFGSYAWQGNPKALFLYMLVNCKETHECWWVADNEESMKSIKKST
GLKNITFTDSEKAKELFPHADVYVTENFRESYPVYMNENIKVFNTWHGVG
LKHIELALGMNSVLAESIVRKYVRNYDIYKNNVLFLTTSQAMEDHFLEDM
AISKELIIRGKYPRNAVYGPNGIHTYDINTLLPKNKSQYSQTILFCPTWN
DDYDIYEAFNSIDLAISSIFYDLLDAGVEKFISTKRKQYLMDYFFGFKKE
NKSMESLIADVDNCQLQPKSLKELHTFDIFDTLIRRSTLRPFSIFDYVRD
KAKASGIKFPLALTENWINVRNRAEHDVRDIMRKTTFERQSDKIEITLDD
IYTRLQKNLLLTDEQTDFLKQAEIEAEIAHVEPIQKRINYLFSLKAKGHD
VAMASDMYLPEDVIYKMLDRADTRLREIPLYLSSTIGYQKSTGKLYQHIF
FDLDYQYSRWTHYGDNKHADGSVPRRLGIQTAVHDIDDFIPFENAMVNAM
DNYNRYPAYQLATKMHRYRTQLVQENGFGNTLFETKYYNYAYVGASFVPY
INWAIKDAIKRGYETIYFISRDGHFLKQIADKIIEIRGYNVKTKYIYGSR
KAWRLPSFITKVDDETFWQFGNFVGMDSFEDLVPEFESLRHENIRKIFKN
SPAYHEKVLAIAAEKRKMVRQYIQQEINPKEKFAFVEFWGRGYTQDTFGR
LLNDAFGKEVKNPFYYVRSFTDDMGTSVRHNFILAPQNFSFFEPIFAQTP
YDSIPDYYEEKGRIEPIINHRDRSVSDLISEGLLKFTEDYLALNTQDEDY
FDAALSQFNYQYQLNTPNDQFICNVFSELKKPYAPALTLKQLESITSKQE
LDKLTQSIPISLSKSDVKVIDYYNKIQKNYNLPAYNSTPMRKAYAVNPLE
QYVWSTQVPFRVLSLKQNSFYLDVSFAETTKRKDIFLKELNEIDVIAVDW
LKGGVPRLLTEHGYITAHKDWVKKS
Ligand information
Ligand IDKOF
InChIInChI=1S/C10H21O12P/c11-1-6-8(15)9(16)10(22-6)20-2-4(12)7(14)5(13)3-21-23(17,18)19/h4-16H,1-3H2,(H2,17,18,19)/t4-,5+,6+,7-,8+,9+,10+/m0/s1
InChIKeyJWGOVVCXUKJSKW-DWMNMWHPSA-N
SMILES
SoftwareSMILES
CACTVS 3.385OC[CH]1O[CH](OC[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)[CH](O)[CH]1O
OpenEye OEToolkits 2.0.7C(C1C(C(C(O1)OCC(C(C(COP(=O)(O)O)O)O)O)O)O)O
OpenEye OEToolkits 2.0.7C([C@@H]1[C@H]([C@H]([C@@H](O1)OC[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)O)O
CACTVS 3.385OC[C@H]1O[C@@H](OC[C@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O)[C@H](O)[C@@H]1O
FormulaC10 H21 O12 P
Namebeta-D-ribosyl-(1->
1)-D-ribitol-5-phosphate;
(2R,3S,4S)-5-(((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)oxy)-2,3,4-trihydroxypentyl hydrogen phosphate
ChEMBL
DrugBank
ZINCZINC000064634206
PDB chain8a0m Chain D Residue 1203 [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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PDB8a0m A multi-enzyme machine polymerizes the Haemophilus influenzae type b capsule.
Resolution3.6 Å
Binding residue
(original residue number in PDB)		Y1042 L1091 R1097 T1106
Binding residue
(residue number reindexed from 1)		Y902 L951 R957 T966
Annotation score1
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

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Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8a0m, PDBe:8a0m, PDBj:8a0m
PDBsum8a0m
PubMed37277468
UniProtQ2ERG0

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