Structure of PDB 7nf4 Chain B Binding Site BS01

Receptor Information
>7nf4 Chain B (length=495) Species: 425011 (Aspergillus niger CBS 513.88) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PAHLCFRSFVEALKVDNDLVEINTPIDPNLEAAAITRRVCETNDKAPLFN
NLIGMKNGLFRILGAPGSLRKSSADRYGRLARHLALPPTASMREILDKML
SASDMPPIPPTIVPTGPCKENSLDDSEFDLTELPVPLIHKSDGGKYIQTY
GMHIVQSPDGTWTNWSIARAMVHDKNHLTGLVIPPQHIWQIHQMWKKEGR
SDVPWALAFGVPPAAIMASSMPIPDGVTEAGYVGAMTGSSLELVKCDTND
LYVPATSEIVLEGTLSISETGPEGPFGEMHGYIFPGDTHLGAKYKVNRIT
YRNNAIMPMSSCGRLTDETHTMIGSLAAAEIRKLCQQNDLPITDAFAPFE
SQVTWVALRVDTEKLRAMKTTSEGFRKRVGDVVFNHKAGYMIHRLVLVGD
DIDVYEGKDVLWAFSTRCRPGMDETLFEDVPGFWLIPYMGHGNGPAHRGG
KVVSDALMPTEYTTGRNWEAADFNQSYPEDLKQKVLDNWTKMGFS
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 chain7nf4 Chain B Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB7nf4 Directed evolution of prenylated FMN-dependent Fdc supports efficient in vivo isobutene production.
Resolution1.69 Å
Binding residue
(original residue number in PDB)		N168 H191 E233
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:0030145 manganese ion binding
GO:0042802 identical protein binding
GO:0046872 metal ion binding
Biological Process
GO:0009074 aromatic amino acid family catabolic process
GO:0018966 styrene metabolic process
GO:0033494 ferulate metabolic process
GO:0046281 cinnamic acid catabolic process
Cellular Component
GO:0005737 cytoplasm

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7nf4, PDBe:7nf4, PDBj:7nf4
PDBsum7nf4
PubMed34489427
UniProtA2QHE5|FDC1_ASPNC Ferulic acid decarboxylase 1 (Gene Name=fdc1)

[Back to BioLiP]