Structure of PDB 6i1r Chain A Binding Site BS01

Receptor Information
>6i1r Chain A (length=309) Species: 4577 (Zea mays) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MQWYLVAALLTILTSSQGILTTLSQSNYDYATIPFLAELFKLSVSGFFLW
KECRTSPSVRMTKEWRSVRLYVVPSVIYLIHNNVQFATLTYVDPSTYQIM
GNLKIVTTGILFRLVLKRKLSNIQWMAIVLLAVGTTTSQVKGCGDSPCDS
LFSAPLEGYLLGILSACLSALAGVYTEYLMKKNNDSLYWQNVQLYTFGVI
FNMGWLIYGDFKAGFELGPWWQRLFNGYSITTWMVVFNLGSTGLLVSWLM
KYSDNIVKVYSTSMAMLLTMVLSIYLFSVKATIQLFLGIIICIISLQMYF
MPVHMLIEL
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 chain6i1r Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6i1r Structural basis for the delivery of activated sialic acid into Golgi for sialyation.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		P38 E42 S79 Y82 L83 N86 N206 W209
Binding residue
(residue number reindexed from 1)		P34 E38 S75 Y78 L79 N82 N202 W205
Annotation score4
Binding affinityPDBbind-CN: -logKd/Ki=5.84,IC50=1.45uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0015165 pyrimidine nucleotide-sugar transmembrane transporter activity
Biological Process
GO:0090481 pyrimidine nucleotide-sugar transmembrane transport
Cellular Component
GO:0000139 Golgi membrane
GO:0016020 membrane

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6i1r, PDBe:6i1r, PDBj:6i1r
PDBsum6i1r
PubMed31133698
UniProtB4FZ94

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