Structure of PDB 6h1a Chain A Binding Site BS01

Receptor Information
>6h1a Chain A (length=523) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QSKLGAVYTEGGFVEGVNKKLGLLGDSVDIFKGIPFAAPTKALENPQPHP
GWQGTLKAKNFKKRCLQATITQDSTYGDEDCLYLNIWVPQGRKQVSRDLP
VMIWIYGGAFLMGSGHGANFLNNYLYDGEEIATRGNVIVVTFNYRVGPLG
FLSTGDANLPGNYGLRDQHMAIAWVKRNIAAFGGDPDNITLFGESAGGAS
VSLQTLSPYNKGLIRRAISQSGVALSPWVIQKNPLFWAKKVAEKVGCPVG
DAARMAQCLKVTDPRALTLAYKVPLAGLEYPMLHYVGFVPVIDGDFIPDD
PINLYANAADIDYIAGTNNMDGHIFASIDMPAINKGNKKVTEEDFYKLVS
EFTITKGLRGAKTTFDVYTESWAQDPSQENKKKTVVDFETDVLFLVPTEI
ALAQHRANAKSAKTYAYLFSHPADHADDIQYVFGKPFATPTGYRPQDRTV
SKAMIAYWTNFAKTGDPNMGDSAVPTHWEPYTTENSGYLEITKKMGSSSM
KRSLRTNFLRYWTLTYLALPTVT
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 chain6h1a Chain A Residue 603 [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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PDB6h1a X-ray structures of human bile-salt activated lipase conjugated to nerve agents surrogates.
Resolution1.75 Å
Binding residue
(original residue number in PDB)		D77 E78
Binding residue
(residue number reindexed from 1)		D78 E79
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) G107 A108 S194 A195 D320 H435
Catalytic site (residue number reindexed from 1) G108 A109 S195 A196 D321 H425
Enzyme Commision number 3.1.1.13: sterol esterase.
3.1.1.3: triacylglycerol lipase.
3.1.1.6: acetylesterase.
External links
PDB RCSB:6h1a, PDBe:6h1a, PDBj:6h1a
PDBsum6h1a
PubMed30359675
UniProtP19835|CEL_HUMAN Bile salt-activated lipase (Gene Name=CEL)

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