Structure of PDB 8a0m Chain B Binding Site BS02

Receptor Information
>8a0m Chain B (length=964) Species: 727 (Haemophilus influenzae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VDKTWLFGSYAWQGNPKALFLYMLVNCKETHECWWVADNEESMKSIKKST
GLKNITFTDSEKAKELFPHADVYVTENFRESYPVYMNENIKVFNTWHGVG
LKHIELALGMNSVLAESIVRKYVRNYDIYKNNVLFLTTSQAMEDHFLEDM
AISKELIIRGKYPRNAVYGPNGIHTYDINTLLPKNKIYEAFNSIDSIFYD
LLDAGVISTKRKQYLMDYFFGFKSMESLIADVDNCQLQPKSLKELHTFDI
FDTLIRRSTLRPFSIFDYVRDKAKASGIKFPLALTENWINVRNRAEHDVR
DIMRKTTFERQSDKIEITLDDIYTRLQKNLLLTDEQTDFLKQAEIEAEIA
HVEPIQKRINYLFSLKAKGHDVAMASDMYLPEDVIYKMLDRADTRLREIP
LYLSSTIGYQKSTGKLYQHIFFDLDYQYSRWTHYGDNKHADGSVPRRLGI
QTAVHDIDDFIPFENAMVNAMDNYNRYPAYQLATKMHRYRTQLVQENGFG
NTLFETKYYNYAYVGASFVPYINWAIKDAIKRGYETIYFISRDGHFLKQI
ADKIIEIRGYNVKTKYIYGSRKAWRLPSFITKVDDETFWQFGNFVGMDSF
EDLVKASYLSESELLSLFPEFESLREIAENIRKIFKNSPAYHEKVLAIAA
EKRKMVRQYIQQEINPKEKFAFVEFWGRGYTQDTFGRLLNDAFGKEVKNP
FYYVRSFTDDMGTSVRHNFILAPQNFSFFEPIFAQTPYDSIPDYYEEKGR
IEPIINHRDRSVSDLISEGLLKFTEDYLALNTQDEDYFDAALSQFNYQYQ
LNTPNDQFICNVFSELKDEKPYAPALTLKQLESITSKQELDKLTQSIPIS
LSKSDVKVIDYYNKIQKNYNLPAYNSTPMRKAYAVNPLEQYVWSTQVPFR
VLSLKQNSFYLDVSFAETTKRKDIFLKELNEIDVIAVDWLKGGVPRLLTE
HGYITAHKDWVKKS
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 B Residue 1202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB8a0m A multi-enzyme machine polymerizes the Haemophilus influenzae type b capsule.
Resolution3.6 Å
Binding residue
(original residue number in PDB)		S1059 Y1061 K1071 T1106 W1111
Binding residue
(residue number reindexed from 1)		S908 Y910 K920 T955 W960
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

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

[Back to BioLiP]