Structure of PDB 4mnc Chain A Binding Site BS02

Receptor Information
>4mnc Chain A (length=305) Species: 296591 (Polaromonas sp. JS666) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QEVTLRLVSAFPENGIYVQRLLPWIAKVNAEGKGVLQINFLGGPKAIPTF
EAGNAVKTGVVDMAMNTGAFYTNVMPEADFLKLTQIPVAEQRKNGAFDAI
NKVWNEKGNTQYLARMVENQPFHIYTNKKIDKPDLSGQKIRISPVYRDFF
QALNANVVTTPPGEVYTALERGVVDGYGWPIGGIFDLNWQEKTKFRVDPG
FYDAEVSLTMNLPAYKKLTDAQRNYLQKQLLVLEAENTFWTRYGNVETAR
QETAGIQTIKFDAATSKAFREKAYEVGWAGAMKQSPEVAARFKTLFSKAE
NLYFQ
Ligand information
Ligand ID173
InChIInChI=1S/C8H6O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5H,(H,10,11)
InChIKeyFAQJJMHZNSSFSM-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(cc1)C(=O)C(=O)O
CACTVS 3.341OC(=O)C(=O)c1ccccc1
ACDLabs 10.04O=C(C(=O)O)c1ccccc1
FormulaC8 H6 O3
NameBENZOYL-FORMIC ACID;
OXO(PHENYL)ACETIC ACID
ChEMBLCHEMBL950
DrugBankDB02279
ZINCZINC000001529359
PDB chain4mnc Chain A Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4mnc Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Resolution1.05 Å
Binding residue
(original residue number in PDB)		F266 R269 V273
Binding residue
(residue number reindexed from 1)		F239 R242 V246
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0055085 transmembrane transport

View graph for
Biological Process
External links
PDB RCSB:4mnc, PDBe:4mnc, PDBj:4mnc
PDBsum4mnc
PubMed25540822
UniProtQ122C7|DCTP2_POLSJ Solute-binding protein Bpro_4736 (Gene Name=Bpro_4736)

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