Structure of PDB 1eyr Chain B Binding Site BS01

Receptor Information
>1eyr Chain B (length=221) Species: 487 (Neisseria meningitidis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MEKQNIAVILARQNSKGLPLKNLRKMNGISLLGHTINAAISSKCFDRIIV
STDGGLIAEEAKNFGVEVVLRPAELASDTASSISGVIHALETIGSNSGTV
TLLQPTSPLRTGAHIREAFSLFDEKIKGSVVSACPMEHHPLKTLLQINEY
APMRHLSDLEQPRQQLPQAFRPNGAIYINDTASLIANNCFFIAPTKLYIM
SHQDSIDIDTELDLQQAENIL
Ligand information
Ligand IDCDP
InChIInChI=1S/C9H15N3O11P2/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
InChIKeyZWIADYZPOWUWEW-XVFCMESISA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)O)O)O
CACTVS 3.341NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO[P@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]2O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)C(O)C2O
OpenEye OEToolkits 1.5.0C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O
CACTVS 3.341NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]2O
FormulaC9 H15 N3 O11 P2
NameCYTIDINE-5'-DIPHOSPHATE
ChEMBLCHEMBL425252
DrugBankDB04555
ZINCZINC000008215624
PDB chain1eyr Chain B Residue 2001 [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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PDB1eyr Structure of a sialic acid-activating synthetase, CMP-acylneuraminate synthetase in the presence and absence of CDP.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		L10 R12 K21 N22 R71 A80 P105 T106 D209 I210 D211
Binding residue
(residue number reindexed from 1)		L10 R12 K21 N22 R71 A80 P105 T106 D207 I208 D209
Annotation score3
Enzymatic activity
Enzyme Commision number 2.7.7.43: N-acylneuraminate cytidylyltransferase.
Gene Ontology
Molecular Function
GO:0008781 N-acylneuraminate cytidylyltransferase activity
GO:0016779 nucleotidyltransferase activity
Cellular Component
GO:0005737 cytoplasm

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:1eyr, PDBe:1eyr, PDBj:1eyr
PDBsum1eyr
PubMed11113120
UniProtP0A0Z8|NEUA_NEIME N-acylneuraminate cytidylyltransferase (Gene Name=neuA)

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