Structure of PDB 8jt3 Chain B Binding Site BS01

Receptor Information
>8jt3 Chain B (length=512) Species: 519341 (Actinoalloteichus sp. 2216-6) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GEPVYADAVLNGWLTSMGLGVEYVRAEGNTVYYLDDEGREVPVLDHACGF
GSLIFGHNHPEIIAHAKAALDAGTVVHAQLSRQPRANQISRILNDIMRRE
TGRDDRYNAIFANSGAEANEICMKHAELERQERITALFAEIDAELDTARE
ALTTGTATLDTASLPLVDVDGVIADIHRHNDERRAERPLFLTLDGSFHGK
LVGSIQLTQNEPWRTPFTALSSPARFLPADEPELIGKIVEDERRSVLTLS
LDKDTVRVVERDFPVVAAIFVEPVRGGSGMKTVTPELAEELHRLRDTLGC
PLVVDEVQTGIGRTGAFFGSALLGIRGDYYTLAKAIGGGIVKNSVALIRQ
DRFLPAMEVIHSSTFAKDGLSASIALKVLEMVEADGGRVYQRVRERGQRL
EAMLESVRADHSDVVSAVWGTGLMLALELRDQSNATSQAIREKAAHGFLG
YVLAGFLLREHHIRVLPAGPRSGFLRFSPSLYITDEEIDRTETALRSLFT
ALRDQDGDRLVL
Ligand information
Ligand IDEQJ
InChIInChI=1S/C14H22N5O7P/c1-8-12(20)10(9(5-18-8)7-26-27(23,24)25)6-19-11(13(21)22)3-2-4-17-14(15)16/h5-6,11,20H,2-4,7H2,1H3,(H,21,22)(H4,15,16,17)(H2,23,24,25)/b19-6+/t11-/m0/s1
InChIKeyPFHOMURYEGODJI-GBCOYWTISA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6Cc1c(c(c(cn1)COP(=O)(O)O)C=NC(CCCNC(=N)N)C(=O)O)O
CACTVS 3.385Cc1ncc(CO[P](O)(O)=O)c(C=N[C@@H](CCCNC(N)=N)C(O)=O)c1O
ACDLabs 12.01Cc1ncc(COP(O)(=O)O)c(\C=N\C(CCCNC(\N)=N)C(=O)O)c1O
OpenEye OEToolkits 2.0.6[H]/N=C(/N)\NCCC[C@@H](C(=O)O)/N=C/c1c(cnc(c1O)C)COP(=O)(O)O
CACTVS 3.385Cc1ncc(CO[P](O)(O)=O)c(C=N[CH](CCCNC(N)=N)C(O)=O)c1O
FormulaC14 H22 N5 O7 P
Name(E)-N~2~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-arginine
ChEMBL
DrugBank
ZINC
PDB chain8jt3 Chain A Residue 601 [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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PDB8jt3 Co-crystal structure provides insights on transaminase CrmG recognition amino donor L-Arg
Resolution2.35 Å
Binding residue
(original residue number in PDB)		S372 T374
Binding residue
(residue number reindexed from 1)		S362 T364
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008483 transaminase activity
GO:0030170 pyridoxal phosphate binding
GO:0042802 identical protein binding

View graph for
Molecular Function
External links
PDB RCSB:8jt3, PDBe:8jt3, PDBj:8jt3
PDBsum8jt3
PubMed37451216
UniProtH8Y6N2

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