Structure of PDB 4guv Chain C Binding Site BS02

Receptor Information

>4guv Chain C (length=367) Species: 818 (Bacteroides thetaiotaomicron)

NLLSDKNVAIIGGGPVGLTMAKLLQQNGIDVSVYERDNDREARIFGGTLD
LHKGSGQEAMKKAGLLQTYYDLALPMGVNIADEKGNILSTKNVKPENRFD
NPEINRNDLRAILLNSLENDTVIWDRKLVMLEPGKKKWTLTFENKPSETA
DLVILANGGMSKVRKFVTDTEVEETGTFNIQADIHQPEINCPGFFQLCNG
NRLMASHQGNLLFANPNNNGALHFGISFKTPDEWQVDFQNRNSVVDFLLK
EFSDWDERYKELIHTTLSFVGLATRIFPLEKPWKSKRPLPITMIGDAAHL
MPPFAGQGVNSGLVDALILSDNLADGKFNSIEEAVKNYEQQMFIYGKEAQ
EESTQNEIEMFKPDFTF

Ligand information

• Ligand ID: XE
• InChI: InChI=1S/Xe
• InChIKey: FHNFHKCVQCLJFQ-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  CACTVS 3.341
  OpenEye OEToolkits 1.5.0: [Xe]
• Formula: Xe
• Name: XENON
• ChEMBL: CHEMBL1236802
• DrugBank: DB13453
• PDB chain: 4guv Chain C Residue 405

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4guv Putative dioxygen-binding sites and recognition of tigecycline and minocycline in the tetracycline-degrading monooxygenase TetX.
• Resolution: 2.73 Å
• Binding residue (original residue number in PDB): I237 F267 Y274 I278
• Binding residue (residue number reindexed from 1): I226 F252 Y259 I263
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 1.14.13.231: tetracycline 11a-monooxygenase.

Gene Ontology

Molecular Function

• GO:0000166 nucleotide binding
• GO:0004497 monooxygenase activity
• GO:0071949 FAD binding

Biological Process

• GO:0046677 response to antibiotic

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:4guv, PDBe:4guv, PDBj:4guv
• PDBsum: 4guv
• PubMed: 23999299
• UniProt: Q93L51|TETX_BACT4 Flavin-dependent monooxygenase (Gene Name=tetX2)