Structure of PDB 3fdd Chain A Binding Site BS01

Receptor Information
>3fdd Chain A (length=502) Species: 207291 ([Pseudomonas] dacunhae ATCC 21192) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DGNRLMLNAGRGNPNFLATTPRRAFFRLGLFAAAESELSYSYMNTVGVGG
LAKIEGIEGRFERYIAENRDQEGVRFLGKSLSYVRDQLGLDPAAFLHEMV
DGILGCNYPVPPRMLNISEKIVRQYIIREMGADAIPSESVNLFAVEGGTA
AMAYIFESMKVNGLLKAGDKVAIGMPVFTPYIEIPELAQYALEEVAINAD
PALNWQYPDSELDKLKDPAIKIFFCVNPSNPPSVKMDERSLERVRKIVAE
HRPDLMILTDDVYGTFADGFQSLFAICPANTLLVYSFSKYFGATGWRLGV
VAAHKENIFDLALGRLPESEKTALDDRYRSLLPDVRSLKFLDRLVADSRA
VALNHTAGLSTPQQVQMTLFSLFALMDESDQYKHTLKQLIRRREATLYRE
LGTPPQRDENAVDYYTLIDLQDVTSKLYGEAFSKWAVKQSSTGDMLFRIA
DETGIVLLPGRGFGSDRPSGRASLANLNEYEYAAIGRALRQMADELYAQY
TQ
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 chain3fdd Chain A Residue 534 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3fdd The crystal structure of the Pseudomonas dacunhae aspartate-beta-decarboxylase dodecamer reveals an unknown oligomeric assembly for a pyridoxal-5'-phosphate-dependent enzyme.
Resolution2.35 Å
Binding residue
(original residue number in PDB)		R37 G173 G174 T175 F204 V252 D286 V288 Y289 S312 S314 K315 R323
Binding residue
(residue number reindexed from 1)		R11 G147 G148 T149 F178 V226 D260 V262 Y263 S286 S288 K289 R297
Annotation score1
Enzymatic activity
Enzyme Commision number 2.6.1.-
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0008483 transaminase activity
GO:0016847 1-aminocyclopropane-1-carboxylate synthase activity
GO:0030170 pyridoxal phosphate binding
GO:0047688 aspartate 4-decarboxylase activity
Biological Process
GO:0006520 amino acid metabolic process
GO:0006531 aspartate metabolic process
GO:0009058 biosynthetic process
GO:0042218 1-aminocyclopropane-1-carboxylate biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3fdd, PDBe:3fdd, PDBj:3fdd
PDBsum3fdd
PubMed19265705
UniProtQ845W8

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