Structure of PDB 3a8u Chain X Binding Site BS01

Receptor Information
>3a8u Chain X (length=441) Species: 303 (Pseudomonas putida) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ASLASQLKLDAHWMPYTANRNFLRDPRLIVAAEGSWLVDDKGRKVYDSLS
GLWTCGAGHTRKEIQEAVAKQLSTLDYSPGFQYGHPLSFQLAEKITDLTP
GNLNHVFFTDSGSECALTAVKMVRAYWRLKGQATKTKMIGRARGYHGVNI
AGTSLGGVNGNRKLFGQPMQDVDHLPHTLLASNAYSRGMPKEGGIALADE
LLKLIELHDASNIAAVFVEPLAGSAGVLVPPEGYLKRNREICNQHNILLV
FDEVITGFGRTGSMFGADSFGVTPDLMCIAKQVTNGAIPMGAVIASTEIY
QTFMNQPTPEYAVEFPHGYTYSAHPVACAAGLAALCLLQKENLVQSVAEV
APHFEKALHGIKGAKNVIDIRNFGLAGAIQIAPRDGDAIVRPFEAGMALW
KAGFYVRFGGDTLQFGPTFNSKPQDLDRLFDAVGEVLNKLL
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 chain3a8u Chain X Residue 450 [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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PDB3a8u Crystal structure analysis of omega-amino acid:pyruvate aminotransferase with a newly developed Weissenberg camera and an imaging plate using synchrotron radiation
Resolution1.4 Å
Binding residue
(original residue number in PDB)		S118 G119 S120 Y152 H153 G154 E226 D259 V261 I262 K288
Binding residue
(residue number reindexed from 1)		S111 G112 S113 Y145 H146 G147 E219 D252 V254 I255 K281
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Y152 D259 K288 Q421
Catalytic site (residue number reindexed from 1) Y145 D252 K281 Q414
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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3a8u, PDBe:3a8u, PDBj:3a8u
PDBsum3a8u
PubMed
UniProtP28269|OAPT_PSEPU Omega-amino acid--pyruvate aminotransferase

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