Structure of PDB 2zwi Chain A Binding Site BS01

Receptor Information
>2zwi Chain A (length=370) Species: 659 (Photobacterium phosphoreum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KNKTIEVYVDRATLPTIQQMTQIINENSNNKKLISWSRYPINDETLLESI
NGSFFKNRPELIKSLDSMILTNEIKKVIINGNTLWAVDVVNIIKSIEALG
KKTEIELNFYDDGSAEYVRLYDFSRLPESEQEYKISLSKDNIQSSINGTQ
PFDNSIENIYGFSQLYPTTYHMLRADIFETNLPLTSLKRVISNNIKQMKW
DYFTTFNSQQKNKFYNFTGFNPEKIKEQYKASPHENFIFIGTNSGTATAE
QQIDILTEAKKPDSPIITNSIQGLDLFFKGHPSATYNQQIIDAHNMIEIY
NKIPFEALIMTDALPDAVGGMGSSVFFSLPNTVENKFIFYKSDIENNALI
QVMIELNIVNRNDVKLISDL
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 chain2zwi Chain A Residue 1 [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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PDB2zwi Crystal structure of alpha/beta-galactoside alpha2,3-sialyltransferase from a luminous marine bacterium, Photobacterium phosphoreum
Resolution2.01 Å
Binding residue
(original residue number in PDB)		G277 K315 G316 H317 P318 P340 F341 E342 S359 S360 V361
Binding residue
(residue number reindexed from 1)		G241 K279 G280 H281 P282 P304 F305 E306 S323 S324 V325
Annotation score4
Enzymatic activity
Enzyme Commision number 2.4.99.4: Transferred entry: 2.4.3.4.
Gene Ontology
Molecular Function
GO:0016757 glycosyltransferase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:2zwi, PDBe:2zwi, PDBj:2zwi
PDBsum2zwi
PubMed19467231
UniProtA5LHX0

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