Structure of PDB 8tpm Chain B Binding Site BS02

Receptor Information
>8tpm Chain B (length=615) Species: 660122 (Fusarium vanettenii 77-13-4) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ESNFGVDFVIHYKVPAAERDEAEAGFVQLIRALTTVGLATEVRHGENESL
LVFVKVASPDLFAKQVYRARLGDWLHGVRVSAPHNDPVVEAERLRLIYLM
ITKPHNEGGAGVTPTNAKWKHVESIFPLHSHSFNKEWIKKWSSKYTLEQT
DIDNIRDKFGESVAFYFAFLRSYFRFLVIPSAFGFGAWLLLGQFSYLYAL
LCGLWSVVFFEYWKKQEVDLAVQWGVRGVSSIQQSRPEFEWEHEAEDPIT
GEPVKVYPPMKRVKTQLLQIPFALACVVALGALIVTCNSLEVFINEVYPG
KQYLGFLPTIFLVIGTPTISGVLMGAAEKLNAMENYATVDAHDAALIQKQ
FVLNFMTSYMALFFTAFVYIPFGHILHPFLNFWRATAQTFQINPARISNQ
MFYFTVTAQIVNFATEVVVPYEDHEEEAEFLQRVREECTLEEYDVSGDYR
EMVMQFGYVAMFSVAWPLAACCFLVNNWVELRSDALKIAISSRRPIPWRT
DSIGPWLTALSFLSWLGSITSSAIVYLCSNLKAWGLLLSILFAEHFYLVV
QLAVRFVLSKLDSPGLQKERKERFQTKKRLLQENLTPEEMFWQRQRGMQE
TIEIGRRMIEQQLAA
Ligand information
Ligand IDPGW
InChIInChI=1S/C40H77O10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,37-38,41-42H,3-16,19-36H2,1-2H3,(H,45,46)/b18-17-/t37-,38+/m0/s1
InChIKeyPAZGBAOHGQRCBP-HGWHEPCSSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OC[CH](O)CO)OC(=O)CCCCCCCC=CCCCCCCCC
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCC=CCCCCCCCC
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(CO)O)OC(=O)CCCCCCCC=CCCCCCCCC
CACTVS 3.341CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](O)(=O)OC[C@@H](O)CO)OC(=O)CCCCCCC\C=C/CCCCCCCC
ACDLabs 10.04O=C(OC(COP(=O)(OCC(O)CO)O)COC(=O)CCCCCCCCCCCCCCC)CCCCCCC\C=C/CCCCCCCC
FormulaC40 H77 O10 P
Name(1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate;
1-Palmitoyl-2-Oleoyl-sn-Glycero-3-[Phospho-(1-glycerol)];
PHOSPHATIDYLGLYCEROL
ChEMBL
DrugBank
ZINCZINC000008552309
PDB chain8tpm Chain B Residue 803 [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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PDB8tpm Structural basis of closed groove scrambling by a TMEM16 protein.
Resolution2.93 Å
Binding residue
(original residue number in PDB)		Q372 F375 F379 P560 T563
Binding residue
(residue number reindexed from 1)		Q348 F351 F355 P505 T508
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005254 chloride channel activity
GO:0042802 identical protein binding
GO:0046872 metal ion binding
Biological Process
GO:1902476 chloride transmembrane transport
Cellular Component
GO:0016020 membrane
GO:0032541 cortical endoplasmic reticulum

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8tpm, PDBe:8tpm, PDBj:8tpm
PDBsum8tpm
PubMed38684930
UniProtC7Z7K1

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