Structure of PDB 8gkm Chain A Binding Site BS01

Receptor Information
>8gkm Chain A (length=385) Species: 1867 (Actinoplanes teichomyceticus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
STVPELLARQVTRAPDAVAVVDRDRVLTYRELDELAGRLSGRLIGRGVRR
GDRVAVLLDRSADLVVTLLAIWKAGAAYVPVDAGYPAPRVAFMVADSGAS
RMVCSAATRDGVPEGIEAIVVTDEEAFEASAAGARPGDLAYVMYTSGIPK
GVAVPHRSVAELAGNPGWAVEPGDAVLMHAPYAFDASLFEIWVPLVSGGR
VVIAEPGPVDARRLREAISSGVTRAYLTAGSFRAVAEESPESFAGLREVL
TGGDVVPAHAVARVRSACPRVRIRHMYGPTETTMCATWHLLEPGDEIGPV
LPIGRPLPGRRAQVLDASLRAVAPGVIGDLYLSGAGLADGYLRRAGLTAE
RFVADPSAPGARMYRTGDLAQWTADGALLFAGRAD
Ligand information
Ligand IDLEU
InChIInChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1
InChIKeyROHFNLRQFUQHCH-YFKPBYRVSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C)C[C@@H](C(=O)O)N
CACTVS 3.341CC(C)C[C@H](N)C(O)=O
OpenEye OEToolkits 1.5.0CC(C)CC(C(=O)O)N
ACDLabs 10.04O=C(O)C(N)CC(C)C
CACTVS 3.341CC(C)C[CH](N)C(O)=O
FormulaC6 H13 N O2
NameLEUCINE
ChEMBLCHEMBL291962
DrugBankDB00149
ZINCZINC000003645145
PDB chain8gkm Chain A Residue 501 [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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PDB8gkm Resurrecting ancestral antibiotics: unveiling the origins of modern lipid II targeting glycopeptides
Resolution1.89 Å
Binding residue
(original residue number in PDB)		D196 G289 M295
Binding residue
(residue number reindexed from 1)		D185 G278 M284
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links