Structure of PDB 6wnn Chain B Binding Site BS02

Receptor Information
>6wnn Chain B (length=416) Species: 1423 (Bacillus subtilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DLIEKSKKHLWLPFTQMKDYDENPLIIESGTGIKVKDINGKEYYDGFSSV
WLNVHGHRKKELDDAIKKQLGKIAHSTLLGMTNVPATQLAETLIDISPKK
LTRVFYSDSGAEAMEIALKMAFQYWKNIGKPEKQKFIAMKNGYYKAPIPY
VYRSESGDPDECRDQCLRELAQLLEEHHEEIAALSIESMVQGASGMIVMP
EGYLAGVRELCTTYDVLMIVDEVATGFGRTGKMFACEHENVQPDLMAAGK
GITGGYLPIAVTFATEDIYKAFYDDYENLKTFFHGHSYTGNQLGCAVALE
NLALFESENIVEQVAEKSKKLHFLLQDLHALPHVGDIRQLGFMCGAELVR
SKETKEPYPADRRIGYKVSLKMRELGMLTRPLGDVIAFLPPLASTAEELS
EMVAIMKQAIHEVTSL
Ligand information
Ligand IDPMP
InChIInChI=1S/C8H13N2O5P/c1-5-8(11)7(2-9)6(3-10-5)4-15-16(12,13)14/h3,11H,2,4,9H2,1H3,(H2,12,13,14)
InChIKeyZMJGSOSNSPKHNH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=P(O)(O)OCc1cnc(c(O)c1CN)C
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)COP(=O)(O)O)CN)O
CACTVS 3.341Cc1ncc(CO[P](O)(O)=O)c(CN)c1O
FormulaC8 H13 N2 O5 P
Name4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE;
PYRIDOXAMINE-5'-PHOSPHATE
ChEMBLCHEMBL1235353
DrugBankDB02142
ZINCZINC000001532708
PDB chain6wnn Chain B Residue 501 [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]
PDB6wnn Substrate divergence in 7,8-diaminopelargonic acid synthesis: mutagenesis and computational studies of L-lysine dependent Bacillus subtilis BioA
Resolution2.59 Å
Binding residue
(original residue number in PDB)		W54 S112 G113 A114 Y146 E217 D251 K280
Binding residue
(residue number reindexed from 1)		W51 S109 G110 A111 Y143 E187 D221 K250
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) F17 Y146 D251 K280
Catalytic site (residue number reindexed from 1) F14 Y143 D221 K250
Enzyme Commision number 2.6.1.105: lysine--8-amino-7-oxononanoate transaminase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004015 adenosylmethionine-8-amino-7-oxononanoate transaminase activity
GO:0008483 transaminase activity
GO:0030170 pyridoxal phosphate binding
Biological Process
GO:0009102 biotin biosynthetic 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:6wnn, PDBe:6wnn, PDBj:6wnn
PDBsum6wnn
PubMed
UniProtP53555|BIOK_BACSU L-Lysine--8-amino-7-oxononanoate transaminase (Gene Name=bioK)

[Back to BioLiP]