Structure of PDB 8xha Chain B Binding Site BS01

Receptor Information
>8xha Chain B (length=401) Species: 1093098 (Streptomyces albogriseolus 1-36) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PRGSHMVKKLRHLSDGYWDSAARLGVHGAVLQAVPGGRLSAPDGRVAVNM
SSYSYLGLDESPRIIDAAIAALRSNMVLNSSLSRVRMTLPLLEEAECALG
DLFGADVATLNSCSAAAWATLPVLASGLLTDGVAPVMVFDKRAHFCMASL
KSLCADETRVETIRHNDVDALADICRKNKRVAYVCDSVYSTGGTLAPLEE
LFALQKEFGLFLYFDEAHSTSVIGDMGRGYVLDRMGAINDSTMLITSLNK
GFGASGGAIVFGPRDDDRKRKIIQRSSGPLMWSQRLNTPALGAIIESAKL
HRSEALPELQAKLHSNIALFDGLVRAAGQGNSVPIRYLELGSEVDTLEAS
AYLFDNGFYVEPDFFPIVSRGAAGLRARIRSSMSTADIEQFAHVWHKLGV
D
Ligand information
Ligand IDPGU
InChIInChI=1S/C13H19N2O9P/c1-7-12(18)9(8(4-14-7)6-24-25(21,22)23)5-15-10(13(19)20)2-3-11(16)17/h4,10,15,18H,2-3,5-6H2,1H3,(H,16,17)(H,19,20)(H2,21,22,23)/t10-/m0/s1
InChIKeyJMRKOGDJNHPMHS-JTQLQIEISA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)COP(=O)(O)O)CNC(CCC(=O)O)C(=O)O)O
CACTVS 3.341Cc1ncc(CO[P](O)(O)=O)c(CN[CH](CCC(O)=O)C(O)=O)c1O
CACTVS 3.341Cc1ncc(CO[P](O)(O)=O)c(CN[C@@H](CCC(O)=O)C(O)=O)c1O
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CCC(=O)O)C(=O)O)O
ACDLabs 10.04O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)CCC(=O)O
FormulaC13 H19 N2 O9 P
NameN-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-glutamic acid
ChEMBL
DrugBank
ZINCZINC000012501127
PDB chain8xha Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8xha Structural and mechanistic investigations on CC bond forming alpha-oxoamine synthase allowing L-glutamate as substrate.
Resolution2.27 Å
Binding residue
(original residue number in PDB)		S87 W286 S287 Q288 R289
Binding residue
(residue number reindexed from 1)		S83 W282 S283 Q284 R285
Annotation score1
Enzymatic activity
Enzyme Commision number 2.3.1.47: 8-amino-7-oxononanoate synthase.
Gene Ontology
Molecular Function
GO:0008483 transaminase activity
GO:0030170 pyridoxal phosphate binding
Biological Process
GO:0009058 biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:8xha, PDBe:8xha, PDBj:8xha
PDBsum8xha
PubMed38642679
UniProtA0A6B9KSL0

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