Structure of PDB 2hi8 Chain X Binding Site BS04

Receptor Information
>2hi8 Chain X (length=274) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LAHSKMVPIPAGVFTMGTDDPQIKQDGEAPARRVTIDAFYMDAYEVSNTE
FEKFVNSTGYLTEAEKFGDSFVFEGMLAAAPWWLPVKGANWRHPEGPDST
ILHRPDHPVLHVSWNDAVAYCTWAGKRLPTEAEWEYSCRGGLHNRLFPWG
NKLQPKGQHYANIWQGEFPVTNTGEDGFQGTAPVDAFPPNGYGLYNIVGN
AWEWTSDWWTVHHSVEETLNPKGPPSGKDRVKKGGSYMSHRSYCYRYRCA
ARSQNTPDSSASNLGFRCAADRLP
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 chain2hi8 Chain X Residue 1016 [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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PDB2hi8 Probing the oxygen-binding site of the human formylglycine-generating enzyme using halide ions.
Resolution1.64 Å
Binding residue
(original residue number in PDB)		E130 N293 I294 G296 A298 E300
Binding residue
(residue number reindexed from 1)		E45 N196 I197 G199 A201 E203
Annotation score1
Enzymatic activity
Enzyme Commision number 1.8.3.7: formylglycine-generating enzyme.
External links
PDB RCSB:2hi8, PDBe:2hi8, PDBj:2hi8
PDBsum2hi8
PubMed17452787
UniProtQ8NBK3|SUMF1_HUMAN Formylglycine-generating enzyme (Gene Name=SUMF1)

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