Structure of PDB 6wce Chain A Binding Site BS01

Receptor Information
>6wce Chain A (length=314) Species: 715 (Actinobacillus pleuropneumoniae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EGRLTVYCTVQNEVCENLTQKFAKQYQVETQFIQGGTGTIFGKIKAEKDN
PQADIWVGGTIEPHFQAGELGLLESYRSPKQAEILPQFKSLMEKRGDKTS
IIYMLVLGFGVNSEKLQKLGVKAPQSWDDLLNPAFKGEIQLPDPRSSGTT
YTIMATLIQKLGEEKAFEYLKKLNENVSQYVKSNLVTANLSRGESSASIG
FVHAYATEKEKGAPVETVIPAGKVGYALGGASIIKNARNLENAKLFMDYV
LSAETQELPWREHGVYQIPTNANAKASPSSVDPKKLDLLDFDFDKFGSSE
EGKRLIDKWLTEIK
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 chain6wce Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6wce Actinobacillus utilizes a binding protein-dependent ABC transporter to acquire the active form of vitamin B 6 .
Resolution1.754 Å
Binding residue
(original residue number in PDB)		T37 Y103 L105 S147 G148 T149 S183 H203
Binding residue
(residue number reindexed from 1)		T37 Y103 L105 S147 G148 T149 S183 H203
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links