Structure of PDB 4b98 Chain B Binding Site BS03

Receptor Information
>4b98 Chain B (length=440) Species: 287 (Pseudomonas aeruginosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PPVSSELNLRAHWMPFSANRNFQKDPRIIVAAEGSWLTDDKGRKVYDSLS
GLWTCGAGHSRKEIQEAVARQLGTLDYSPGFQYGHPLSFQLAEKIAGLLP
GELNHVFFTGSGSECADTSIKMARAYWRLKGQPQKTKLIGRARGYHGVNV
AGTSLGGIGGNRKMFGQLMDVDHLPHTLQPGMAFTRGMAQTGGVELANEL
LKLIELHDASNIAAVIVEPMSGSAGVLVPPVGYLQRLREICDQHNILLIF
DEVITAFGRLGTYSGAEYFGVTPDLMNVAKQVTNGAVPMGAVIASSEIYD
TFMNQALPEHAVEFSHGYTYSAHPVACAAGLAALDILARDNLVQQSAELA
PHFEKGLHGLQGAKNVIDIRNCGLAGAIQIAPRDGDPTVRPFEAGMKLWQ
QGFYVRFGGDTLQFGPTFNARPEELDRLFDAVGEALNGIA
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 chain4b98 Chain B Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4b98 Structural Studies with Pseudomonas and Chromobacterium [Omega]-Aminotransferases Provide Insights Into Their Differing Substrate Specificity.
Resolution1.65 Å
Binding residue
(original residue number in PDB)		V239 G240 Q243 F277 G278
Binding residue
(residue number reindexed from 1)		V231 G232 Q235 F269 G270
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) F24 Y153 E226 D259 I262 K288 Q421
Catalytic site (residue number reindexed from 1) F16 Y145 E218 D251 I254 K280 Q413
Enzyme Commision number 2.6.1.18: beta-alanine--pyruvate transaminase.
Gene Ontology
Molecular Function
GO:0004015 adenosylmethionine-8-amino-7-oxononanoate transaminase activity
GO:0008483 transaminase activity
GO:0016223 beta-alanine:pyruvate transaminase activity
GO:0030170 pyridoxal phosphate binding
Biological Process
GO:0009102 biotin biosynthetic process
GO:0019483 beta-alanine biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4b98, PDBe:4b98, PDBj:4b98
PDBsum4b98
PubMed23519665
UniProtQ9I700|BAUA_PSEAE Beta-alanine--pyruvate aminotransferase (Gene Name=bauA)

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