Structure of PDB 5tcd Chain A Binding Site BS01

Receptor Information
>5tcd Chain A (length=388) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QNKLLLVSFDGFRWNYDQDVDTPNLDAMARDGVKARYMTPAFVTMTSPCH
FTLVTGKYIENHGVVHNMYYNTTSKVKLPYHATLGIQRWWDNGSVPIWIT
AQRQGLRAGSFFYPGGNVTYQGVAVTRSRKEGIAHNYKNETEWRANIDTV
MAWFTEEDLDLVTLYFGEPDSTGHRYGPESPERREMVRQVDRTVGYLRES
IARNHLTDRLNLIITSDHGMTTVDKRAGDLVEFHKFPNFTFRDIEFELLD
YGPNGMLLPKEGRLEKVYDALKDAHPKLHVYKKEAFPEAFHYANNPRVTP
LLMYSDLGYVIHGRINVQFNNGEHGFDNKDMDMKTIFRAVGPSFRAGLEV
EPFESVHVYELMCRLLGIVPEANDGHLATLLPMLHTES
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 chain5tcd Chain A Residue 501 [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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PDB5tcd Crystal structure of the human alkaline sphingomyelinase provides insights into substrate recognition.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		D39 T75 D246 H247
Binding residue
(residue number reindexed from 1)		D10 T46 D217 H218
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.4.12: sphingomyelin phosphodiesterase.
External links
PDB RCSB:5tcd, PDBe:5tcd, PDBj:5tcd
PDBsum5tcd
PubMed28292932
UniProtQ6UWV6|ENPP7_HUMAN Ectonucleotide pyrophosphatase/phosphodiesterase family member 7 (Gene Name=ENPP7)

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