Structure of PDB 4zad Chain B Binding Site BS01

Receptor Information
>4zad Chain B (length=510) Species: 42374 (Candida dubliniensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LNPALKFRDFIQVLKNEGDLIEIDTEVDPNLEVGAITRKAYENKLAAPLF
NNLKQDPENIDPKNLFRILGCPGGLRGFGNDHARIALHLGLDSQTPMKEI
IDFLVANRNPKKYIPPVLVPNDQSPHKKHHLTKEQIDLTKLPVPLLHHGD
GGKFIQTYGMWVLQTPDKSWTNWSIARGMVHDSKSITGLVINPQHVKQVS
DAWVAAGKGDKIPFALCFGVPPAAILVSSMPIPDGATEAEYIGGLCNQAV
PVVKCETNDLEVPADCEMVFEGYLDRDTLVREGPFGEMHGYCFPKDHHTQ
PLYRVNHISYRDQAIMPISNPGLCTDETHTLIGGLVSAETKYLISQHPVL
SKIVEDVFTPYEAQALWLAVKINTHELVKLKTNAKELSNLVGDFLFRSKE
CYKVCSILHEIILVGDDIDIFDFKQLIWAYTTRHTPVQDQLYFDDVKPFA
LAPFASQGPLIKTRQGGKCVTTCIFPKQFTDPDFEFVTCNFNGYPEEVNK
ISQNWDKYYK
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 chain4zad Chain B Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4zad New cofactor supports alpha , beta-unsaturated acid decarboxylation via 1,3-dipolar cycloaddition.
Resolution2.46 Å
Binding residue
(original residue number in PDB)		N174 H197 E240
Binding residue
(residue number reindexed from 1)		N172 H195 E238
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:4zad, PDBe:4zad, PDBj:4zad
PDBsum4zad
PubMed26083754
UniProtB9WJ66|FDC1_CANDC Ferulic acid decarboxylase 1 (Gene Name=FDC1)

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