Structure of PDB 3ojg Chain A Binding Site BS03

Receptor Information

>3ojg Chain A (length=323) Species: 1462 (Geobacillus kaustophilus)

EMVETVCGPVPVEQLGKTLIHEHFLFGYPGFQGDVTRGTFREDESLRVAV
EAAEKMKRHGIQTVVDPTPNDCGRNPAFLRRVAEETGLNIICATGYYYEG
EGAPPYFQFRRLLGTAEDDIYDMFMAELTEGIADTGIKAGVIKLASSKGR
ITEYEKMFFRAAARAQKETGAVIITHTQEGTMGPEQAAYLLEHGADPKKI
VIGHMCGNTDPDYHRKTLAYGVYIAFDRFGIQGMVGAPTDEERVRTLLAL
LRDGYEKQIMLSHNTVNVWLGRPFTLPEPFAEMMKNWHVEHLFVNIIPAL
KNEGIRDEVLEQMFIGNPAALFS

Ligand information

• Ligand ID: HL4
• InChI: InChI=1S/C8H13NO3/c1-2-3-7(10)9-6-4-5-12-8(6)11/h6H,2-5H2,1H3,(H,9,10)/t6-/m0/s1
• InChIKey: VFFNZZXXTGXBOG-LURJTMIESA-N
• SMILES:
  CACTVS 3.370
  OpenEye OEToolkits 1.7.0: CCCC(=O)N[C@H]1CCOC1=O
  OpenEye OEToolkits 1.7.0: CCCC(=O)NC1CCOC1=O
  ACDLabs 12.01: O=C1OCCC1NC(=O)CCC
  CACTVS 3.370: CCCC(=O)N[CH]1CCOC1=O
• Formula: C8 H13 N O3
• Name: N-[(3S)-2-oxotetrahydrofuran-3-yl]butanamide;
  N-butyryl-L-homoserine lactone
• ChEMBL: CHEMBL207316
• ZINC: ZINC000004102230
• PDB chain: 3ojg Chain A Residue 327

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3ojg Directed evolution of a thermostable quorum-quenching lactonase from the amidohydrolase superfamily
• Resolution: 1.6 Å
• Binding residue (original residue number in PDB): F28 Y30 R230 M236 N266 V268 W271
• Binding residue (residue number reindexed from 1): F26 Y28 R228 M234 N264 V266 W269
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): H23 H25 K145 H178 H206 G209 R230 N266
• Catalytic site (residue number reindexed from 1): H21 H23 K143 H176 H204 G207 R228 N264
• Enzyme Commision number: 3.5.-.-

Gene Ontology

Molecular Function

• GO:0008270 zinc ion binding
• GO:0016787 hydrolase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0009056 catabolic process

External links

• PDB: RCSB:3ojg, PDBe:3ojg, PDBj:3ojg
• PDBsum: 3ojg
• PubMed: 20980257
• UniProt: Q5KZU5