Structure of PDB 4h9z Chain B Binding Site BS02

Receptor Information

>4h9z Chain B (length=323) Species: 235909 (Geobacillus kaustophilus HTA426)

EMVETVCGPVPVEQLGKTLIHEHFLFGYPGFQGDVTRGTFREDESLRVAV
EAAEKMKRHGIQTVVDPTPNDCGRNPAFLRRVAEETGLNIICATGYYYNG
EGAPPYFQFRRLLGTAEDDIYDMFMAELTEGIADTGIKAGVIKLASSKGR
ITEYEKMFFRAAARAQKETGAVIITHTQEGTMGPEQAAYLLEHGADPKKI
VIGHMCGNTDPDYHRKTLAYGVYIAFDRFGIQGMVGAPTDEERVRTLLAL
LRDGYEKQIMLSHDTVNVWLGRPFTLPEPFAEMMKNWHVEHLFVNIIPAL
KNEGIRDEVLEQMFIGNPAALFS

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: 4h9z Chain B Residue 402

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4h9z Structural evidence of a productive active site architecture for an evolved quorum-quenching GKL lactonase.
• Resolution: 2.6 Å
• Binding residue (original residue number in PDB): Y99 K145 H178 H206
• Binding residue (residue number reindexed from 1): Y97 K143 H176 H204
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): H23 H25 K145 H178 H206 G209 R230 D266
• Catalytic site (residue number reindexed from 1): H21 H23 K143 H176 H204 G207 R228 D264
• 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:4h9z, PDBe:4h9z, PDBj:4h9z
• PDBsum: 4h9z
• PubMed: 23461395
• UniProt: Q5KZU5