Structure of PDB 1g63 Chain J Binding Site BS02

Receptor Information
>1g63 Chain J (length=164) Species: 1282 (Staphylococcus epidermidis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MYGKLLICATASINVININHYIVELKQHFDEVNILFSPSSKNFINTDVLK
LFCDNLYDEIKDPLLNHINIVENHEYILVLPASANTINKIANGICDNLLT
TVCLTGYQKLFIFPNMNIRMWGNPFLQKNIDLLKNNDVKVYSPDMNKNNI
TMPNIENVLNFVLN
Ligand information
Ligand IDFMN
InChIInChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m0/s1
InChIKeyFVTCRASFADXXNN-SCRDCRAPSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)O)O)O)O
OpenEye OEToolkits 1.7.6Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O
ACDLabs 12.01N=2C(=O)NC(=O)C3=Nc1cc(C)c(C)cc1N(C=23)CC(O)C(O)C(O)COP(=O)(O)O
CACTVS 3.385Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)c2cc1C
CACTVS 3.385Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[C@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O)c2cc1C
FormulaC17 H21 N4 O9 P
NameFLAVIN MONONUCLEOTIDE;
RIBOFLAVIN MONOPHOSPHATE
ChEMBLCHEMBL1201794
DrugBankDB03247
ZINCZINC000003831425
PDB chain1g63 Chain J Residue 509 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1g63 Crystal structure of the peptidyl-cysteine decarboxylase EpiD complexed with a pentapeptide substrate.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		T10 A11 S12 I13 S37 F43 S83 N115 M116 M120
Binding residue
(residue number reindexed from 1)		T10 A11 S12 I13 S37 F43 S83 N115 M116 M120
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H67
Catalytic site (residue number reindexed from 1) H67
Enzyme Commision number 4.1.1.-
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004633 phosphopantothenoylcysteine decarboxylase activity
GO:0010181 FMN binding
GO:0016829 lyase activity
Biological Process
GO:0015937 coenzyme A biosynthetic process
Cellular Component
GO:0071513 phosphopantothenoylcysteine decarboxylase complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1g63, PDBe:1g63, PDBj:1g63
PDBsum1g63
PubMed11101502
UniProtP30197|EPID_STAEP Epidermin decarboxylase (Gene Name=epiD)

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