Structure of PDB 4yfb Chain C Binding Site BS02

Receptor Information
>4yfb Chain C (length=575) Species: 1268622 (Acidovorax sp. MR-S7) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SNMYGFGTAATGEGSGVLFGNPHWYWKGPDRFYQAQLTIDGEANVSGVSF
LGLPVIQIGFNDSVAWSHTVSTARRFGFFQLSLVQGEPTSYLRDGVPVKM
KPATITVPSRNADGSVSDVTRTLYHSEFGPLVNLAGLNPALAWSQGTAFA
IRDINGENFRTLRTWMRWNQAKSLDEFIAIQKEEASIPWVNTVAVGRGSA
KAWYADIGAVPNVSPAQTAACTTPFGMAVGQALPNVPFFDGSRSECDWLT
DADSVQKGAVGVSRMPSLQRDDYVGNMNDSYWLANVHAPLTGYPAIFGPA
GTSAQTLRTRMGHTMALERLAGTDGYAGNKATSAVVREMVLGSRVFSAER
FKDEVLDLICTPAQWTVNGAAVDAAQACAVLAAWDNRGRKDSRGSHLWDE
FWSRVPTASLFTVPFSAADPLNTPRGINAAAADALRQAMATAIARVGQSG
YALDAPRGEVLYATRGGTRLPLYGGCGAMGYFTITCSENDITQGGYSMDG
QPNASNSYMQVVSFPASGVQAHTFLTFSLSDDPASPHHGDYTKAYSAGQW
LRVPFTEAEITGNADYRTATVKELE
Ligand information
Ligand IDPAC
InChIInChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)
InChIKeyWLJVXDMOQOGPHL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(cc1)CC(=O)O
CACTVS 3.341OC(=O)Cc1ccccc1
ACDLabs 10.04O=C(O)Cc1ccccc1
FormulaC8 H8 O2
Name2-PHENYLACETIC ACID
ChEMBLCHEMBL1044
DrugBankDB09269
ZINCZINC000000388462
PDB chain4yfb Chain C Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4yfb Bifunctional quorum-quenching and antibiotic-acylase MacQ forms a 170-kDa capsule-shaped molecule containing spacer polypeptides
Resolution1.75 Å
Binding residue
(original residue number in PDB)		S1 W24 F50 H68 T69 V70 W189
Binding residue
(residue number reindexed from 1)		S1 W24 F50 H68 T69 V70 W189
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) S1 H23 V70 N278 N506
Catalytic site (residue number reindexed from 1) S1 H23 V70 N278 N506
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
Biological Process
GO:0017000 antibiotic biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:4yfb, PDBe:4yfb, PDBj:4yfb
PDBsum4yfb
PubMed28827579
UniProtA0A0A1VBK6

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