Structure of PDB 8gkm Chain B Binding Site BS01

Receptor Information
>8gkm Chain B (length=382) Species: 1867 (Actinoplanes teichomyceticus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
STVPELLARQVTRAPDAVAVVDRDRVLTYRELDELAGRLSGRLIGRGVRR
GDRVAVLLDRSADLVVTLLAIWKAGAAYVPVDAGYPAPRVAFMVADSGAS
RMVCSAATRDGVPEGIEAIVVTDFEASAAGARPGDLAYVMYTSGIPKGVA
VPHRSVAELAGNPGWAVEPGDAVLMHAPYAFDASLFEIWVPLVSGGRVVI
AEPGPVDARRLREAISSGVTRAYLTAGSFRAVAEESPESFAGLREVLTGG
DVVPAHAVARVRSACPRVRIRHMYGPTETTMCATWHLLEPGDEIGPVLPI
GRPLPGRRAQVLDASLRAVAPGVIGDLYLSGAGLADGYLRRAGLTAERFV
ADPSAPGARMYRTGDLAQWTADGALLFAGRAD
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 B 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 G264 M287 G289 M295
Binding residue
(residue number reindexed from 1)		D182 G250 M273 G275 M281
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links