Structure of PDB 6dr8 Chain A Binding Site BS03

Receptor Information
>6dr8 Chain A (length=252) Species: 28141 (Cronobacter sakazakii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PVQPFAIWPGVWYVGTENLSSVLLTTPQGHILIDAGLDASAPQIRRNIEA
LGFRMADIRYIANSHAHLDHAGGIARLKAWSGARVIASHANAEQMARGGK
EDFALGDALPFPPVTVDMEAQDGQQWHLGGVTLAAIFTPGHLPGATSWKV
TLADGKTLIYADSLATPGYPLINNRNYPTLVEDIRRSFARLEAQQVDIFL
ANHGERFGLMDKMARKARGENNAFIDKAGLARYVAQSRAAFEKQLAAQRA
QP
Ligand information
Ligand ID1KA
InChIInChI=1S/C4H8O3/c5-1-3-7-4-2-6/h1,6H,2-4H2
InChIKeyDSGGHBUAHUMMHN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(COCC=O)O
ACDLabs 12.01O=CCOCCO
CACTVS 3.370OCCOCC=O
FormulaC4 H8 O3
Name(2-hydroxyethoxy)acetaldehyde
ChEMBL
DrugBank
ZINCZINC000005113639
PDB chain6dr8 Chain A Residue 407 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6dr8 Broad spectrum antibiotic-degrading metallo-beta-lactamases are phylogenetically diverse
Resolution1.476 Å
Binding residue
(original residue number in PDB)		A171 Q172 D173 F188 T197
Binding residue
(residue number reindexed from 1)		A120 Q121 D122 F137 T146
Annotation score1
External links