Structure of PDB 7t9r Chain B Binding Site BS01

Receptor Information
>7t9r Chain B (length=38) Species: 8502 (Crocodylus porosus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SYYSTLQCRNNHGHCRRLCFHGEQWIGNCNGRHQHCCK
Ligand information
Ligand IDPA6
InChIInChI=1S/C9H17O8P/c1-2-3-4-9(11)15-5-8(16-7-10)6-17-18(12,13)14/h7-8H,2-6H2,1H3,(H2,12,13,14)/t8-/m1/s1
InChIKeyJDTMNMAQWVSSOO-MRVPVSSYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=P(O)(OCC(OC=O)COC(=O)CCCC)O
CACTVS 3.341CCCCC(=O)OC[CH](CO[P](O)(O)=O)OC=O
OpenEye OEToolkits 1.5.0CCCCC(=O)OCC(COP(=O)(O)O)OC=O
OpenEye OEToolkits 1.5.0CCCCC(=O)OC[C@H](COP(=O)(O)O)OC=O
CACTVS 3.341CCCCC(=O)OC[C@H](CO[P](O)(O)=O)OC=O
FormulaC9 H17 O8 P
Name(R)-2-(FORMYLOXY)-3-(PHOSPHONOOXY)PROPYL PENTANOATE;
PHOSPHATIDIC ACID
ChEMBL
DrugBankDB08367
ZINCZINC000005972939
PDB chain7t9r Chain A Residue 102 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7t9r Crocodile defensin (CpoBD13) antifungal activity via pH-dependent phospholipid targeting and membrane disruption.
Resolution1.45 Å
Binding residue
(original residue number in PDB)		E23 K38
Binding residue
(residue number reindexed from 1)		E23 K38
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008289 lipid binding
GO:0031731 CCR6 chemokine receptor binding
GO:0042056 chemoattractant activity
GO:0042802 identical protein binding
GO:0070300 phosphatidic acid binding
Biological Process
GO:0006952 defense response
GO:0031640 killing of cells of another organism
GO:0042742 defense response to bacterium
GO:0050832 defense response to fungus
GO:0050918 positive chemotaxis
GO:0060326 cell chemotaxis
Cellular Component
GO:0005576 extracellular region
GO:0005615 extracellular space

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7t9r, PDBe:7t9r, PDBj:7t9r
PDBsum7t9r
PubMed36859344
UniProtA0A7G6KN55|DFB13_CROPO Beta-defensin 13 (Gene Name=BD13)

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