Structure of PDB 1y1f Chain X Binding Site BS01

Receptor Information
>1y1f Chain X (length=272) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LAHSKMVPIPAGVFTMGTDDPQIKQDGEAPARRVTIDAFYMDAYEVSNTE
FEKFVNSTGYLTEAEKFGDSFVFEGMLAPWWLPVKGANWRHPEGPDSTIL
HRPDHPVLHVSWNDAVAYCTWAGKRLPTEAEWEYSCRGGLHNRLFPWGNK
LQPKGQHYANIWQGEFPVTNTGEDGFQGTAPVDAFPPNGYGLYNIVGNAW
EWTSDWWTVHHSVEETLNPKGPPSGKDRVKKGGSYMCHRSYCYRYRCAAR
SQNTPDSSASNLGFRCAADRLP
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain1y1f Chain X Residue 1001 [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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PDB1y1f Molecular basis for multiple sulfatase deficiency and mechanism for formylglycine generation of the human formylglycine-generating enzyme.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		E130 N293 I294 G296 A298 E300
Binding residue
(residue number reindexed from 1)		E45 N194 I195 G197 A199 E201
Annotation score1
Enzymatic activity
Enzyme Commision number 1.8.3.7: formylglycine-generating enzyme.
External links
PDB RCSB:1y1f, PDBe:1y1f, PDBj:1y1f
PDBsum1y1f
PubMed15907468
UniProtQ8NBK3|SUMF1_HUMAN Formylglycine-generating enzyme (Gene Name=SUMF1)

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