Structure of PDB 1ro8 Chain B Binding Site BS01

Receptor Information
>1ro8 Chain B (length=224) Species: 197 (Campylobacter jejuni) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKKVIIAGNGPSLKEIDYSRLPNDFDVFRCNQFYFEDKYYLGKKCKAVFY
NPSLFFEQYYTLKHLIQNQEYETELIMCSNYNQAHLENENFVKTFYDYFP
DAHLGYDFFKQLKDFNAYFKFHEIYFNQRITSGVYMCAVAIALGYKEIYL
SGIDFYKNTDIKALEFLEKTYKIKLYCLCPNSLLANFIGLAPNLNSNFII
QEKNNYTKDILIPSSEAYGKFSKN
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 chain1ro8 Chain B Residue 1001 [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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PDB1ro8 Structural analysis of the sialyltransferase CstII from Campylobacter jejuni in complex with a substrate analog.
Resolution2.05 Å
Binding residue
(original residue number in PDB)		G8 N9 G10 C30 N31 T131 S132 G133 I153 D154 F155 Y156
Binding residue
(residue number reindexed from 1)		G8 N9 G10 C30 N31 T131 S132 G133 I153 D154 F155 Y156
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) R129 Y156
Catalytic site (residue number reindexed from 1) R129 Y156
Enzyme Commision number 2.4.99.-
External links