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Structure of PDB 8j9h Chain A6 Binding Site BS01

Receptor Information
>8j9h Chain A6 (length=423) Species: 3039 (Euglena gracilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SVRAAGGQYVLPDHGRYGQVVRPARLEEFELNPHQNPSRDRDWSVEIRGF
YRDLLKSIPTMKQRFRLVIPNDVVRQNIRKRFEQGPKLTDPAALRHRALM
VSADLEEYFREDFLDSQVQGKYNNMDPRTLLNQEIAAAASETQTAHRFFN
EGTNVLLETGIGGEDVTENRVYITREQAYRKGLASLRGDAAVRHLLPAVD
PANQTTLQALAAENDLQALVDLLGHLPAAKTAEAYVQRCEAFHKEAGLRH
QKASGGAVLAAWEKFKDEEVNSTVLLHPAYKALIADPSRNPLLRGAADWV
RLVEAGGLSTTEPDSAADKLLKVAQHLYYSDQLPEGFAQDLGVSYLADLK
GVDRRLDLLLDEEIAYRQELLLKIYAHTVESIKATASNPTDPAAVKKHLD
AHDWSAFVVPTEGVKSSYEALAL
Ligand information
Ligand IDZMP
InChIInChI=1S/C25H49N2O8PS/c1-4-5-6-7-8-9-10-11-12-13-14-15-22(29)37-19-18-26-21(28)16-17-27-24(31)23(30)25(2,3)20-35-36(32,33)34/h23,30H,4-20H2,1-3H3,(H,26,28)(H,27,31)(H2,32,33,34)/t23-/m1/s1
InChIKeyHDTINWYIVVMRIN-HSZRJFAPSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](O)C(C)(C)CO[P](O)(O)=O
OpenEye OEToolkits 2.0.5CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)O)O
ACDLabs 12.01OP(=O)(OCC(C(C(NCCC(=O)NCCSC(=O)CCCCCCCCCCCCC)=O)O)(C)C)O
CACTVS 3.385CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(O)=O
OpenEye OEToolkits 2.0.5CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)O)O
FormulaC25 H49 N2 O8 P S
NameS-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] tetradecanethioate
ChEMBL
DrugBank
ZINCZINC000145431082
PDB chain8j9h Chain AB Residue 150 [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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PDB8j9h Euglena's atypical respiratory chain adapts to the discoidal cristae and flexible metabolism.
Resolution3.11 Å
Binding residue
(original residue number in PDB)		R92 F93 E94 Q95 P97 K98 V112 Y119 Y133 N134
Binding residue
(residue number reindexed from 1)		R81 F82 E83 Q84 P86 K87 V101 Y108 Y122 N123
Annotation score1
External links

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