Structure of PDB 8xhd Chain B Binding Site BS01

Receptor Information
>8xhd Chain B (length=398) Species: 1093098 (Streptomyces albogriseolus 1-36) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSHMVKKLRHLSDGYWDSAARLGVHGAVLQAVPGGRLSAPDGRVAVNMSS
YSYLGLDESPRIIDAAIAALRSNMVLNSSLGRVRMTLPLLEEAECALGDL
FGADVATLNSCSAAAWATLPVLASGLLTDGVAPVMVFDKRAHFCMASLKS
LCADETRVETIRHNDVDALADICRKNKRVAYVCDSVYSTGGTLAPLEELF
ALQKEFGLFLYFDEAHSTSVIGDMGRGYVLDRMGAINDSTMLITSLNKGF
GASGGAIVFGPRDDDRKRKIIQRSSGPLMWSQRLNTPALGAIIESAKLHR
SEALPELQAKLHSNIALFDGLVRAAGQGNSVPIRYLELGSEVDTLEASAY
LFDNGFYVEPDFFPIVSRGAAGLRARIRSSMSTADIEQFAHVWHKLGV
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 chain8xhd 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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PDB8xhd Structural and mechanistic investigations on CC bond forming alpha-oxoamine synthase allowing L-glutamate as substrate.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		W286 S287 Q288 R289
Binding residue
(residue number reindexed from 1)		W280 S281 Q282 R283
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:8xhd, PDBe:8xhd, PDBj:8xhd
PDBsum8xhd
PubMed38642679
UniProtA0A6B9KSL0

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