Structure of PDB 5ssy Chain A Binding Site BS04

Receptor Information
>5ssy Chain A (length=277) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AHSKMVPIPAGVFTMGTDDPQIKQDGEAPARRVTIDAFYMDAYEVSNTEF
EKFVNSTGYLTEAEKFGDSFVFEGMLAAAPWWLPVKGANWRHPEGPDSTI
LHRPDHPVLHVSWNDAVAYCTWAGKRLPTEAEWEYSCRGGLHNRLFPWGN
KLQPKGQHYANIWQGEFPVTNTGEDGFQGTAPVDAFPPNGYGLYNIVGNA
WEWTSDWWTVHHSVEETLNPKGPPSGKDRVKKGGSYMCHRSYCYRYRCAA
RSQNTPDSSASNLGFRCAADRLPTMDS
Ligand information
Ligand IDUG6
InChIInChI=1S/C6H11NO3S/c1-4(8)7-5(3-11)6(9)10-2/h5,11H,3H2,1-2H3,(H,7,8)/t5-/m0/s1
InChIKeyQTKAQJWFVXPIFV-YFKPBYRVSA-N
SMILES
SoftwareSMILES
CACTVS 3.385COC(=O)[CH](CS)NC(C)=O
CACTVS 3.385COC(=O)[C@H](CS)NC(C)=O
ACDLabs 12.01COC(=O)C(NC(=O)C)CS
OpenEye OEToolkits 2.0.7CC(=O)N[C@@H](CS)C(=O)OC
OpenEye OEToolkits 2.0.7CC(=O)NC(CS)C(=O)OC
FormulaC6 H11 N O3 S
Namemethyl N-acetyl-L-cysteinate
ChEMBL
DrugBank
ZINCZINC000004521105
PDB chain5ssy Chain A Residue 405 [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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PDB5ssy Crystal Structure of human formylglycine generating enzyme in complex with N-acetyl-cysteine methylester
Resolution1.29 Å
Binding residue
(original residue number in PDB)		F158 G160 M161 N269 Y334
Binding residue
(residue number reindexed from 1)		F72 G74 M75 N171 Y236
Annotation score1
Enzymatic activity
Enzyme Commision number 1.8.3.7: formylglycine-generating enzyme.
External links
PDB RCSB:5ssy, PDBe:5ssy, PDBj:5ssy
PDBsum5ssy
PubMed
UniProtQ8NBK3|SUMF1_HUMAN Formylglycine-generating enzyme (Gene Name=SUMF1)

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