Structure of PDB 3f9t Chain B Binding Site BS01

Receptor Information
>3f9t Chain B (length=392) Species: 2190 (Methanocaldococcus jannaschii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NMQEKGVSEKEILEELKKYRSLDLKYEDGNIFGSMCSNVLPITRKIVDIF
LETNLGDPGLFKGTKLLEEKAVALLGSLLNNKDAYGHIVSGGTEANLMAL
RCIKNIWREKRRKGLSKNEHPKIIVPITAHFSFEKGREMMDLEYIYAPIK
EDYTIDEKFVKDAVEDYDVDGIIGIAGTTELGTIDNIEELSKIAKENNIY
IHVDAAFGGLVIPFLDDKYKKKGVNYKFDFSLGVDSITIDPHKMGHCPIP
SGGILFKDIGYKRYLDVDAPYLTETRQATILGTRVGFGGACTYAVLRYLG
REGQRKIVNECMENTLYLYKKLKENNFKPVIEPILNIVAIEDEDYKEVCK
KLRDRGIYVSVCNCVKALRIVVMPHIKREHIDNFIEILNSIK
Ligand information
Ligand IDPLP
InChIInChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)
InChIKeyNGVDGCNFYWLIFO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Cc1ncc(CO[P](O)(O)=O)c(C=O)c1O
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O
ACDLabs 10.04O=P(O)(O)OCc1cnc(c(O)c1C=O)C
FormulaC8 H10 N O6 P
NamePYRIDOXAL-5'-PHOSPHATE;
VITAMIN B6 Phosphate
ChEMBLCHEMBL82202
DrugBankDB00114
ZINCZINC000001532514
PDB chain3f9t Chain B Residue 500 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3f9t Crystal structure of L-tyrosine decarboxylase MfnA (EC 4.1.1.25) (NP_247014.1) from METHANOCOCCUS JANNASCHII at 2.11 A resolution
Resolution2.11 Å
Binding residue
(original residue number in PDB)		M37 G94 T95 H132 T181 D206 A208 K245
Binding residue
(residue number reindexed from 1)		M35 G92 T93 H130 T179 D204 A206 K243
Annotation score1
Enzymatic activity
Enzyme Commision number 4.1.1.11: aspartate 1-decarboxylase.
4.1.1.25: tyrosine decarboxylase.
Gene Ontology
Molecular Function
GO:0004068 aspartate 1-decarboxylase activity
GO:0004837 tyrosine decarboxylase activity
GO:0016830 carbon-carbon lyase activity
GO:0016831 carboxy-lyase activity
GO:0030170 pyridoxal phosphate binding
Biological Process
GO:0015937 coenzyme A biosynthetic process
GO:0019752 carboxylic acid metabolic process
GO:2001120 methanofuran biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:3f9t, PDBe:3f9t, PDBj:3f9t
PDBsum3f9t
PubMed
UniProtQ60358|MFNA_METJA L-tyrosine/L-aspartate decarboxylase (Gene Name=mfnA)

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