Structure of PDB 8w8h Chain D Binding Site BS01

Receptor Information
>8w8h Chain D (length=229) Species: 1402 (Bacillus licheniformis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MSNYASFLKENGYSYIPADFYQQKNTDAAVRELQLTYEDLKADPKGGGRY
RAHSRYILAPQSDTLELDPDNGYFQSKEYNYDDGGIVREFDKISNEFLQH
PVTQQMIHSNVEMARQTDFVDWEKEVIVGLHQIRYHVTPDAPSYSSPIWL
HRDDEPLVFVHLFKLSEDAIGGDNLIAPSVKQIDKVLRLTDPLETLALGQ
KVFHAVTPVGTANIDGAHRDILLVTFSNR
Ligand information
Ligand IDILE
InChIInChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1
InChIKeyAGPKZVBTJJNPAG-WHFBIAKZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC[C@H](C)[C@@H](C(=O)O)N
OpenEye OEToolkits 1.5.0CCC(C)C(C(=O)O)N
CACTVS 3.341CC[CH](C)[CH](N)C(O)=O
ACDLabs 10.04O=C(O)C(N)C(C)CC
CACTVS 3.341CC[C@H](C)[C@H](N)C(O)=O
FormulaC6 H13 N O2
NameISOLEUCINE
ChEMBLCHEMBL1233584
DrugBankDB00167
ZINCZINC000003581355
PDB chain8w8h Chain D Residue 301 [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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PDB8w8h a Fe(2)/2-KG dioxygenases from Bacillus licheniformis
Resolution3.2 Å
Binding residue
(original residue number in PDB)		R51 Y73 Q75 R88 H131 S146 D153 L223
Binding residue
(residue number reindexed from 1)		R51 Y73 Q75 R88 H131 S146 D153 L223
Annotation score4
External links