Structure of PDB 6h0t Chain A Binding Site BS03

Receptor Information
>6h0t Chain A (length=514) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SKLGAVYTEGGFVEGVNKKLGLLGDSVDIFKGIPFAAPTKALENPQPHPG
WQGTLKAKNFKKRCLQATITQDSTYGDEDCLYLNIWVPQGRKQVSRDLPV
MIWIYGGAFLYLYDGEEIATRGNVIVVTFNYRVGPLGFLSTGDANLPGNY
GLRDQHMAIAWVKRNIAAFGGDPDNITLFGESAGGASVSLQTLSPYNKGL
IRRAISQSGVALSPWVIQKNPLFWAKKVAEKVGCPVGDAARMAQCLKVTD
PRALTLAYKYPMLHYVGFVPVIDGDFIPDDPINLYANAADIDYIAGTNNM
DGHIFASIDMPAINKGNKKVTEEDFYKLVSEFTITKGLRGAKTTFDVYTE
SWAQDPSQENKKKTVVDFETDVLFLVPTEIALAQHRANAKSAKTYAYLFS
HPSRMPVYPKWVGADHADDIQYVFGKPFATPTGYRPQDRTVSKAMIAYWT
NFAKTGDPNMGDSAVPTHWEPYTTENSGYLEITKKMGSSSMKRSLRTNFL
RYWTLTYLALPTVT
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain6h0t Chain A Residue 604 [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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PDB6h0t X-ray structures of human bile-salt activated lipase conjugated to nerve agents surrogates.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		D328 E388
Binding residue
(residue number reindexed from 1)		D309 E369
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) G107 A108 S194 A195 D320 H435
Catalytic site (residue number reindexed from 1) G107 A108 S182 A183 D301 H416
Enzyme Commision number 3.1.1.13: sterol esterase.
3.1.1.3: triacylglycerol lipase.
3.1.1.6: acetylesterase.
External links
PDB RCSB:6h0t, PDBe:6h0t, PDBj:6h0t
PDBsum6h0t
PubMed30359675
UniProtP19835|CEL_HUMAN Bile salt-activated lipase (Gene Name=CEL)

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