Structure of PDB 6jom Chain B Binding Site BS01

Receptor Information
>6jom Chain B (length=330) Species: 262719 (Mesomycoplasma hyopneumoniae J) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MYLIEPKRNGKWVFDGAILLAIQYWAIKNLKLDETIVFPYICDPHVQIGY
FQNPSVEVNLELLKQKNIEVVRRDTGGGAIYLDRNGVNFCFSFPYEKNKN
LLGNYAQFYDPVIKVLQNIGIKNVQFSGKNDLQIEGKKVSGAAMSLVNDR
IYAGFSLLYDVDFDFIGKILTPNRVTNLKNKLSKEYQNFSIFEIKDLFLT
EFLKVNSVEKFKKYELTDSDWVQIDKMVAEKYKNWDFVWGLSPNYSFNRS
IRTKVGTITFSLEINEGKISKIKISGDFFPKKSLLELENFLMGTKLTQDQ
LLNRLKDAKLEDYFSQKIDEEEICNLLLNL
Ligand information
Ligand IDLAQ
InChIInChI=1S/C18H26N5O8PS2/c19-16-13-17(21-8-20-16)23(9-22-13)18-15(26)14(25)11(30-18)7-29-32(27,28)31-12(24)4-2-1-3-10-5-6-33-34-10/h8-11,14-15,18,25-26H,1-7H2,(H,27,28)(H2,19,20,21)/t10-,11-,14-,15-,18-/m1/s1
InChIKeyQWEGOCJRZOKSOE-ADUAKINBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OC(=O)CCCCC4CCSS4)O)O)N
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OC(=O)CCCC[C@@H]4CCSS4)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)OC(=O)CCCC[C@@H]4CCSS4)[C@@H](O)[C@H]3O
ACDLabs 10.04O=P(O)(OCC3OC(n1c2ncnc(N)c2nc1)C(O)C3O)OC(=O)CCCCC4SSCC4
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)OC(=O)CCCC[CH]4CCSS4)[CH](O)[CH]3O
FormulaC18 H26 N5 O8 P S2
Name5'-O-[(R)-({5-[(3R)-1,2-DITHIOLAN-3-YL]PENTANOYL}OXY)(HYDROXY)PHOSPHORYL]ADENOSINE;
LIPOYL-AMP
ChEMBL
DrugBank
ZINCZINC000016051950
PDB chain6jom Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6jom Functional Identification and Structural Analysis of a New Lipoate Protein Ligase inMycoplasma hyopneumoniae.
Resolution2.45 Å
Binding residue
(original residue number in PDB)		Y40 R73 G78 A79 I80 Y81 C90 K138 G141 A142 G154 F155 S156 L170
Binding residue
(residue number reindexed from 1)		Y40 R73 G78 A79 I80 Y81 C90 K138 G141 A142 G154 F155 S156 L170
Annotation score3
Enzymatic activity
Enzyme Commision number 6.3.1.20: lipoate--protein ligase.
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016874 ligase activity
GO:0016979 lipoate-protein ligase activity
GO:0017118 lipoyltransferase activity
Biological Process
GO:0009249 protein lipoylation
GO:0036211 protein modification process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6jom, PDBe:6jom, PDBj:6jom
PDBsum6jom
PubMed32373550
UniProtQ4AA29

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