Structure of PDB 6lrg Chain B Binding Site BS01

Receptor Information
>6lrg Chain B (length=681) Species: 103690 (Nostoc sp. PCC 7120 = FACHB-418) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RIRFLMCPPDHYDVDYVINPWMEGNIHKSSRDRAVEQWQGLYQILKEHAI
VDLVTPQKGWPDLVFTANAGLVLGDNVVLSRFLHKERQGEEPYFKEWFEG
NGYTVYELPKDLPFEGAGDALLDREGRWLWAGYGFRSELDSHPYLAKWLD
IEVLSLRLIDERFYHLDTCFCPLANGYLLYYPGAFDSYSNRLIEMRVAPE
KRIAIAEADAVNFACNTVNVESIVIMNKASDALKQSLTGVGFQVLETPLT
EFLKAGGAAKCLTLRVTEPVRDEVHANVYVESRIIRIEGHLLDSGLINRA
LDMIVDTGGSFQVLNFNLGEQRQSTSAAEVKVSAPSHEVMEEIISLLIDL
GAVDLPQDERDAKLEPVIQDGVAPDDFYVSTIYPTEVRINGQWIKVENQR
MDGAIAITQTPNGLLAQCKILRDLKAGEQVIVDVLGIRTIRKTESREQRV
SSERRVELVVEQVAWELRKIRDAGGKVVVTAGPVVIHTGGGEHLSRLIRE
GYVQALLGGNAIAVHDIEQNMMGTSLGVDMKRGVAVRGGHRHHLKVINTI
RRHGSIAKGVESGIIRSGVMYECVRNQIPFVLAGSIRDDGPLPDTQMDLI
KAQEEYAKHLEGAEMILMLSSMLHSIGVGNMTPAGVKMVCVDINPAVVTK
LSDRGSIESVGVVTDVGLFLSLLTQQLDKLT
Ligand information
Ligand IDORN
InChIInChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1
InChIKeyAHLPHDHHMVZTML-BYPYZUCNSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(C[C@@H](C(=O)O)N)CN
CACTVS 3.370NCCC[CH](N)C(O)=O
CACTVS 3.370NCCC[C@H](N)C(O)=O
ACDLabs 12.01O=C(O)C(N)CCCN
OpenEye OEToolkits 1.7.6C(CC(C(=O)O)N)CN
FormulaC5 H12 N2 O2
NameL-ornithine
ChEMBLCHEMBL446143
DrugBankDB00129
ZINCZINC000001532530
PDB chain6lrg Chain B Residue 801 [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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PDB6lrg Structural and mutational analyses of the bifunctional arginine dihydrolase and ornithine cyclodeaminase AgrE from the cyanobacteriumAnabaena.
Resolution2.41218 Å
Binding residue
(original residue number in PDB)		I21 D65 F68 N71 R90 R139 Y167 H168 A258 C264
Binding residue
(residue number reindexed from 1)		I18 D62 F65 N68 R87 R136 Y164 H165 A255 C261
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0016787 hydrolase activity
GO:0016829 lyase activity

View graph for
Molecular Function
External links
PDB RCSB:6lrg, PDBe:6lrg, PDBj:6lrg
PDBsum6lrg
PubMed32198136
UniProtQ8YMD9|AGRE_NOSS1 Bifunctional arginine dihydrolase/ornithine cyclodeaminase AgrE (Gene Name=agrE)

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