Structure of PDB 4oyv Chain A Binding Site BS01

Receptor Information

>4oyv Chain A (length=424) Species: 208964 (Pseudomonas aeruginosa PAO1)

PTALERVQKEGVLRVITRNSPATYFQDRNGETGFEYELAKRFAERLGVEL
KIETADNLDDLYAQLSREGGPALAAAGLTPGAAADASVRYSHTYLDVTPQ
IIYRNGQQRPTRPEDLVGKRIMVLKGSSHAEQLAELKKQYPELKYEESDA
VEVVDLLRMVDVGDIDLTLVDSNELAMNQVYFPNVRVAFDFGEARGLAWA
LPGGDDDSLMNEVNAFLDQAKKEGLLQRLKDRYYGHVDVLGYVGAYTFAQ
HLQQRLPRYESHFKQSGKQLDTDWRLLAAIGYQESLWQPGATSKTGVRGL
MMLTNRTAQAMGVSNRLDPKQSIQGGSKYFVQIRSELPESIKEPDRSWFA
LAAYNIGGAHLEDARKMAEKEGLNPNKWLDVKKMLPRLAQKQWYAKTRYG
YARGGETVHFVQNVRRYYDILTWV

Ligand information

• Ligand ID: LEU
• InChI: InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1
• InChIKey: ROHFNLRQFUQHCH-YFKPBYRVSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: CC(C)C[C@@H](C(=O)O)N
  CACTVS 3.341: CC(C)C[C@H](N)C(O)=O
  OpenEye OEToolkits 1.5.0: CC(C)CC(C(=O)O)N
  ACDLabs 10.04: O=C(O)C(N)CC(C)C
  CACTVS 3.341: CC(C)C[CH](N)C(O)=O
• Formula: C6 H13 N O2
• Name: LEUCINE
• ChEMBL: CHEMBL291962
• DrugBank: DB00149
• ZINC: ZINC000003645145
• PDB chain: 4oyv Chain A Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4oyv Crystal structure of MltF from Pseudomonas aeruginosa complexed with leucine
• Resolution: 2.31 Å
• Binding residue (original residue number in PDB): R50 L90 G109 L110 T111 S159 S160 H161
• Binding residue (residue number reindexed from 1): R18 L58 G77 L78 T79 S127 S128 H129
• Annotation score: 4

Enzymatic activity

• Enzyme Commision number: 4.2.2.n1: peptidoglycan lytic exotransglycosylase.

Gene Ontology

Molecular Function

• GO:0008933 lytic transglycosylase activity
• GO:0016837 carbon-oxygen lyase activity, acting on polysaccharides

Biological Process

• GO:0000270 peptidoglycan metabolic process

Cellular Component

• GO:0016020 membrane

External links

• PDB: RCSB:4oyv, PDBe:4oyv, PDBj:4oyv
• PDBsum: 4oyv
• UniProt: Q9HXN1|MLTF_PSEAE Membrane-bound lytic murein transglycosylase F (Gene Name=mltF)