Structure of PDB 7jmv Chain A Binding Site BS01

Receptor Information
>7jmv Chain A (length=223) Species: 100816 (Madurella mycetomatis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LDPHSKCYSHINGSAEELLDRLAVSELCKGWPVYRDASEWKNYRSLFTED
ATVWTTWSGPRPVDEFITISKAGKEQGVFIMHRECGTLVELSPQQGRAIG
KMKATITQRFSFPAIEFDVDCDCRFIFFCEKDTASGAWKAKYVKLFYEKD
KVVSVDGHQAPKFTKDELAKYPQGYRYLGAAQARLGYDIDLQLPTSSGQL
WDRMYGEMENWLGGNKVDLFWEH
Ligand information
Ligand ID4NC
InChIInChI=1S/C6H5NO4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H
InChIKeyXJNPNXSISMKQEX-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Oc1ccc(cc1O)[N+]([O-])=O
ACDLabs 10.04[O-][N+](=O)c1cc(O)c(O)cc1
OpenEye OEToolkits 1.5.0c1cc(c(cc1[N+](=O)[O-])O)O
FormulaC6 H5 N O4
Name4-NITROCATECHOL
ChEMBLCHEMBL42423
DrugBankDB03407
ZINCZINC000034800312
PDB chain7jmv Chain A Residue 301 [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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PDB7jmv Crystal structures of non-oxidative decarboxylases reveal a new mechanism of action with a catalytic dyad and structural twists.
Resolution1.57 Å
Binding residue
(original residue number in PDB)		W35 R39 T59 T60 W61 I84 H86 I110 Y167
Binding residue
(residue number reindexed from 1)		W31 R35 T55 T56 W57 I80 H82 I106 Y147
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:7jmv, PDBe:7jmv, PDBj:7jmv
PDBsum7jmv
PubMed33542397
UniProtA0A175WC91

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