Structure of PDB 4h9t Chain B Binding Site BS02

Receptor Information

>4h9t Chain B (length=319) Species: 235909 (Geobacillus kaustophilus HTA426)

EMVETVCGPVPVEQLGKTLIHEHFLFGYPGFQGDVTRGTFREDESLRVAV
EAAEKMKRHGIQTVVDPTPNDCGRNPAFLRRVAEETGLNIICATGYYYAP
PYFQFRRLLGTAEDDIYDMFMAELTEGIADTGIKAGVIKLASSKGRITEY
EKMFFRAAARAQKETGAVIITHTQEGTMGPEQAAYLLEHGADPKKIVIGH
MCGNTDPDYHRKTLAYGVYIAFDRFGIQGMVGAPTDEERVRTLLALLRDG
YEKQIMLSHNTVNVWLGRPFTLPEPFAEMMKNWHVEHLFVNIIPALKNEG
IRDEVLEQMFIGNPAALFS

Ligand information

• Ligand ID: MN
• InChI: InChI=1S/Mn/q+2
• InChIKey: WAEMQWOKJMHJLA-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mn+2]
  CACTVS 3.341: [Mn++]
• Formula: Mn
• Name: MANGANESE (II) ION
• DrugBank: DB06757
• PDB chain: 4h9t Chain B Residue 402

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4h9t Structural evidence of a productive active site architecture for an evolved quorum-quenching GKL lactonase.
• Resolution: 2.097 Å
• Binding residue (original residue number in PDB): K145 H178 H206
• Binding residue (residue number reindexed from 1): K139 H172 H200
• Annotation score: 4

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 K139 H172 H200 G203 R224 N260
• 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:4h9t, PDBe:4h9t, PDBj:4h9t
• PDBsum: 4h9t
• PubMed: 23461395
• UniProt: Q5KZU5