Structure of PDB 2my5 Chain A Binding Site BS01

Receptor Information
>2my5 Chain A (length=89) Species: 1182970 (Micromonospora okii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MQHASVIAQFVVEEFLPDVAPADVDVDLDLVDNGVIDSLGLLKVIAWLED
RFGIAADDVELSPEHFRSIRSIDAFVVGATTPPVEAKLQ
Ligand information
Ligand IDPN7
InChIInChI=1S/C11H23N2O7PS/c1-11(2,7-20-21(17,18)19)9(15)10(16)13-4-3-8(14)12-5-6-22/h9,15,22H,3-7H2,1-2H3,(H,12,14)(H,13,16)(H2,17,18,19)/t9-/m1/s1
InChIKeyJDMUPRLRUUMCTL-SECBINFHSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01OC(C(C)(COP(O)(O)=O)C)C(=O)NCCC(NCCS)=O
OpenEye OEToolkits 1.7.6CC(C)(COP(=O)(O)O)C(C(=O)NCCC(=O)NCCS)O
CACTVS 3.385CC(C)(CO[P](O)(O)=O)[CH](O)C(=O)NCCC(=O)NCCS
CACTVS 3.385CC(C)(CO[P](O)(O)=O)[C@H](O)C(=O)NCCC(=O)NCCS
OpenEye OEToolkits 1.7.6CC(C)(COP(=O)(O)O)[C@@H](C(=O)NCCC(=O)NCCS)O
FormulaC11 H23 N2 O7 P S
NameN~3~-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-(2-sulfanylethyl)-beta-alaninamide
ChEMBL
DrugBank
ZINC
PDB chain2my5 Chain A Residue 101 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2my5 1H and 15N Assigned Chemical Shifts for KstB-PCP
ResolutionN/A
Binding residue
(original residue number in PDB)		S38 P63
Binding residue
(residue number reindexed from 1)		S38 P63
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links