Structure of PDB 7ney Chain B Binding Site BS02

Receptor Information
>7ney Chain B (length=496) Species: 452589 (Trichoderma atroviride IMI 206040) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PPHLSFRSFVEALRQDNDLVDINEPVDPDLEAAAITRLVCETDDKAPLFN
NVIGAKDGLWRILGAPASLRSSPKERFGRLARHLALPPTASAKDILDKML
SANSIPPIEPVIVPTGPVKENSIEGENIDLEALPAPMVHQSDGGKYIQTY
GMHVIQSPDGCWTNWSIARAMVSGKRTLAGLVISPQHIRKIQDQWRAIGQ
EEIPWALAFGVPPTAIMASSMPIPDGVSEAGYVGAIAGEPIKLVKCDTNN
LYVPANSEIVLEGTLSTTKMAPEGPFGEMHGYVYPGESHPGPVYTVNKIT
YRNNAILPMSACGRLTDETQTMIGTLAAAEIRQLCQDAGLPITDAFAPFV
GQATWVALKVDTKRLRAMKTNGKAFAKRVGDVVFTQKPGFTIHRLILVGD
DIDVYDDKDVMWAFTTRCRPGTDEVFFDDVVGFQLIPYMSHGNAEAIKGG
KVVSDALLTAEYTTGKDWESADFKNSYPKSIQDKVLNSWERLGFKK
Ligand information
Ligand IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain7ney Chain B Residue 604 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7ney Directed evolution of prenylated FMN-dependent Fdc supports efficient in vivo isobutene production.
Resolution1.74 Å
Binding residue
(original residue number in PDB)		N178 H201 E243
Binding residue
(residue number reindexed from 1)		N164 H187 E229
Annotation score1
Enzymatic activity
Enzyme Commision number 4.1.1.102: phenacrylate decarboxylase.
Gene Ontology
Molecular Function
GO:0016831 carboxy-lyase activity
GO:0046872 metal ion binding
Biological Process
GO:0033494 ferulate metabolic process
GO:0046281 cinnamic acid catabolic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7ney, PDBe:7ney, PDBj:7ney
PDBsum7ney
PubMed34489427
UniProtG9NLP8

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