Structure of PDB 7jmr Chain A Binding Site BS01

Receptor Information
>7jmr Chain A (length=224) Species: 100816 (Madurella mycetomatis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LDPHSKCYSHINGSAEELLDRLAVSELCKGWPVYRDASEWKNYRSLFTED
ATVWTTWSGPRPVDEFITISKAGKEQGVFIMHRECGTLVELSPQQGRAIG
KMKATITQRFSFPDAIEFDVDCDCRFIFFCEKDTASGAWKAKYVKLFYEK
DKVVSVDGHQAPKFTKDELAKYPQGYRYLGAAQARLGYDIDLQLPTSSGQ
LWDRMYGEMENWLGGNKVDLFWEH
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain7jmr Chain A Residue 303 [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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PDB7jmr Crystal structures of non-oxidative decarboxylases reveal a new mechanism of action with a catalytic dyad and structural twists.
Resolution1.67 Å
Binding residue
(original residue number in PDB)		D238 F240 H243
Binding residue
(residue number reindexed from 1)		D219 F221 H224
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:7jmr, PDBe:7jmr, PDBj:7jmr
PDBsum7jmr
PubMed33542397
UniProtA0A175WC91

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