Structure of PDB 2aii Chain X Binding Site BS01

Receptor Information
>2aii 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
AWEWTSDWWTVHHSVEETLNPKGPPSGKDRVKKGGSYMCHRSYCYRYRCA
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 chain2aii 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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PDB2aii A general binding mechanism for all human sulfatases by the formylglycine-generating enzyme
Resolution1.54 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:2aii, PDBe:2aii, PDBj:2aii
PDBsum2aii
PubMed16368756
UniProtQ8NBK3|SUMF1_HUMAN Formylglycine-generating enzyme (Gene Name=SUMF1)

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