Structure of PDB 1qd6 Chain D Binding Site BS03

Receptor Information
>1qd6 Chain D (length=239) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TLYPYDTNYLIYTQTSDLNKEAIASYDWAENARKDEVKFQLSLAFPLWRG
ILGPNSVLGASYTQKSWWQLSNSEESSPFRETNYEPQLFLGFATDYRFAG
WTLRDVEMGYNHDSNGRSDPTSRSWNRLYTRLMAENGNWLVEVKPWYVVG
NTDDNPDITKYMGYYQLKIGYHLGDAVLSAKGQYNWNTGYGGAELGLSYP
ITKHVRLYTQVYSGYGESLIDYNFNQTRVGVGVMLNDLF
Ligand information
Ligand IDHDS
InChIInChI=1S/C16H34O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(17,18)19/h2-16H2,1H3,(H,17,18,19)
InChIKeySSILHZFTFWOUJR-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCCCCCS(=O)(=O)O
CACTVS 3.341CCCCCCCCCCCCCCCC[S](O)(=O)=O
ACDLabs 10.04O=S(=O)(O)CCCCCCCCCCCCCCCC
FormulaC16 H34 O3 S
Name1-HEXADECANOSULFONIC ACID
ChEMBLCHEMBL1208309
DrugBankDB02776
ZINCZINC000006845885
PDB chain1qd6 Chain C Residue 270 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1qd6 Structural evidence for dimerization-regulated activation of an integral membrane phospholipase.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		Y39 F69 W98 L265
Binding residue
(residue number reindexed from 1)		Y9 F39 W68 L235
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) S106 H142 S144 G146 R147 S152 N156
Catalytic site (residue number reindexed from 1) S76 H112 S114 G116 R117 S122 N126
Enzyme Commision number 3.1.1.32: phospholipase A1.
3.1.1.4: phospholipase A2.
Gene Ontology
Molecular Function
GO:0004620 phospholipase activity
Biological Process
GO:0006629 lipid metabolic process
Cellular Component
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1qd6, PDBe:1qd6, PDBj:1qd6
PDBsum1qd6
PubMed10537112
UniProtP0A921|PA1_ECOLI Phospholipase A1 (Gene Name=pldA)

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