Structure of PDB 4m2e Chain C Binding Site BS02

Receptor Information
>4m2e Chain C (length=336) Species: 58340 (Streptomyces lavendulae subsp. lavendulae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TPSYSLTPAEASAVAELTLELAAAYGSFGDPVLLRDLPRLAARLPEGVQD
FLREFKLADRHGHTVIRGHDFDQRRIGPTPDHWRGRVRPGPEFPEELLLM
LYSALLGEPFGWATQQDGHLVHDIFPIRSHENDQLGMGSKQLLTWHTEDA
FHPYRSDYLILGALRNPDHVPTTVGELDLSSLSAEDIDVLFEPRYHIAPD
ESHLPKNNTIATEEEAARFATIQRMIDERPLGPLLYGSRLDPYMRLDPYF
TSVPQDDTDARRAYDALFKVVDSGMREVVADQGDVLFIDNHRAVHGRLPF
QARYDGTDRWLKRVCVTSDLRRSREMRATSATRLLG
Ligand information
Ligand IDHRG
InChIInChI=1S/C7H16N4O2/c8-5(6(12)13)3-1-2-4-11-7(9)10/h5H,1-4,8H2,(H,12,13)(H4,9,10,11)/t5-/m0/s1
InChIKeyQUOGESRFPZDMMT-YFKPBYRVSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(CCNC(=N)N)CC(C(=O)O)N
OpenEye OEToolkits 1.5.0C(CCNC(=N)N)C[C@@H](C(=O)O)N
CACTVS 3.341N[CH](CCCCNC(N)=N)C(O)=O
ACDLabs 10.04O=C(O)C(N)CCCCNC(=[N@H])N
CACTVS 3.341N[C@@H](CCCCNC(N)=N)C(O)=O
FormulaC7 H16 N4 O2
NameL-HOMOARGININE
ChEMBLCHEMBL589752
DrugBankDB03974
ZINCZINC000001529320
PDB chain4m2e Chain C Residue 402 [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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PDB4m2e Biosynthesis of streptolidine involved two unexpected intermediates produced by a dihydroxylase and a cyclase through unusual mechanisms.
Resolution2.06 Å
Binding residue
(original residue number in PDB)		Q123 L143 G144 H154 E156 S210 D255 F258 R321
Binding residue
(residue number reindexed from 1)		Q115 L135 G136 H146 E148 S202 D247 F250 R313
Annotation score2
Enzymatic activity
Enzyme Commision number 1.14.11.41: L-arginine hydroxylase.
Gene Ontology
Molecular Function
GO:0005506 iron ion binding
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0102525 2-oxoglutarate, L-arginine oxygenase (succinate-forming) activity

View graph for
Molecular Function
External links
PDB RCSB:4m2e, PDBe:4m2e, PDBj:4m2e
PDBsum4m2e
PubMed24505011
UniProtG9MBV2

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