Structure of PDB 8iuf Chain 4D Binding Site BS01

Receptor Information
>8iuf Chain 4D (length=173) Species: 3039 (Euglena gracilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
STVLSILGKRFQRSALTPKMNPFIRIRCQGPIEEFQRGFIGEFHAFALPG
ACMLVASCLGTFHIIRCLVVNPELSLAKVIPEILQPFTNPNAQLKAADGK
DDDDSQVPKQWGMWGRHPNYGVLHVPFLDALNKEALARGKDGVNMGAEYN
LVFTKSMADQVVDLILDDVQKRV
Ligand information
Ligand IDS12
InChIInChI=1S/C24H46NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(27)32-18-21(26)19-33-35(30,31)34-20-22(25)24(28)29/h9-10,21-22,26H,2-8,11-20,25H2,1H3,(H,28,29)(H,30,31)/t21-,22-/m0/s1
InChIKeyJZWNYZVVZXZRRH-VXKWHMMOSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6CCCCCCCCC=CCCCCCCCC(=O)OC[C@@H](CO[P@@](=O)(O)OC[C@@H](C(=O)O)N)O
OpenEye OEToolkits 1.7.6CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCC(C(=O)O)N)O
CACTVS 3.370CCCCCCCCC=CCCCCCCCC(=O)OC[CH](O)CO[P](O)(=O)OC[CH](N)C(O)=O
CACTVS 3.370CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H](O)CO[P](O)(=O)OC[C@H](N)C(O)=O
ACDLabs 12.01O=C(O)C(N)COP(=O)(OCC(O)COC(=O)CCCCCCC/C=C/CCCCCCCC)O
FormulaC24 H46 N O9 P
NameO-[(S)-hydroxy{[(2S)-2-hydroxy-3-(octadec-9-enoyloxy)propyl]oxy}phosphoryl]-L-serine;
1-oleoyl-2-hydroxy-sn-glycero-3-phospho-L-serine
ChEMBL
DrugBank
ZINC
PDB chain8iuf Chain 4D Residue 203 [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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PDB8iuf Euglena's atypical respiratory chain adapts to the discoidal cristae and flexible metabolism.
Resolution2.81 Å
Binding residue
(original residue number in PDB)		C53 V56 L60 F63 R67
Binding residue
(residue number reindexed from 1)		C52 V55 L59 F62 R66
Annotation score1
External links