Structure of PDB 2yk5 Chain A Binding Site BS02

Receptor Information
>2yk5 Chain A (length=326) Species: 491 (Neisseria meningitidis serogroup B) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PVNLIFCYTILQMKVAERIMAQHPGERFYVVLMSENRNEKYDYYFNQIKD
KAEWAYFFHLPYGLNKSFNFIPTMAELKVKAMLLPKVKRIYLASLEKVSI
AAFLSTYPDAEIKTFDDGTINLIQSSSYLGDEFSVNGTIKRNFARMMIGD
WSIAKTRNASDEHYTIFKGLKNIMDDGRRKMTYLPLFDASELKAGDETGG
TVRILLGSPDKEMKEISEKAAKNFNIQYVAPHPRQTYGLSGVTTLNSPYV
IEDYILREIKKNPHTRYEIYTFFSGAALTMKDFPNVHVYALKPASLPEDY
WLKPVYALFTQSGIPILTFDDKLVPR
Ligand information
Ligand IDEDO
InChIInChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
InChIKeyLYCAIKOWRPUZTN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341		OCCO
OpenEye OEToolkits 1.5.0C(CO)O
FormulaC2 H6 O2
Name1,2-ETHANEDIOL;
ETHYLENE GLYCOL
ChEMBLCHEMBL457299
DrugBank
ZINCZINC000005224354
PDB chain2yk5 Chain A Residue 1381 [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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PDB2yk5 Structure and Mechanism of the Lipooligosaccharide Sialyltransferase from Neisseria Meningitidis
Resolution2.32 Å
Binding residue
(original residue number in PDB)		D164 G166
Binding residue
(residue number reindexed from 1)		D116 G118
Annotation score1
Enzymatic activity
Enzyme Commision number 2.4.3.6: N-acetyllactosaminide alpha-2,3-sialyltransferase.
External links
PDB RCSB:2yk5, PDBe:2yk5, PDBj:2yk5
PDBsum2yk5
PubMed21880735
UniProtP72097|LST_NEIMB N-acetyllactosaminide alpha-2,3-sialyltransferase (Gene Name=lst)

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