Structure of PDB 3fpf Chain A Binding Site BS02

Receptor Information
>3fpf Chain A (length=264) Species: 187420 (Methanothermobacter thermautotrophicus str. Delta H) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SCYIYWDKIKRIASRLEGMNYHFDEMDTSGVMPLLDEIEEIAHDSTIDFE
SAKHILDDAEMNHALSLIRKFYVNLGMKLEMEKAQEVIESDSPWETLRSF
YFYPRYLELLKNEAALGRFRRGERAVFIGGGPLPLTGILLSHVYGMRVNV
VEIEPDIAELSRKVIEGLGVDGVNVITGDETVIDGLEFDVLMVAALAEPK
RRVFRNIHRYVDTETRIIYRTYTGMRAILYAPVSDDDITGFRRAGVVLPS
GKVNNTSVLVFKCP
Ligand information
Ligand IDMTA
InChIInChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1
InChIKeyWUUGFSXJNOTRMR-IOSLPCCCSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CSCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O
CACTVS 3.341CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23
ACDLabs 10.04n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CSC)N
CACTVS 3.341CSC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
OpenEye OEToolkits 1.5.0CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O
FormulaC11 H15 N5 O3 S
Name5'-DEOXY-5'-METHYLTHIOADENOSINE
ChEMBLCHEMBL277041
DrugBankDB02282
ZINCZINC000004228245
PDB chain3fpf Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3fpf Crystallographic snapshots of iterative substrate translocations during nicotianamine synthesis in Archaea
Resolution1.66 Å
Binding residue
(original residue number in PDB)		M78 G130 G132 E153 I154 L197 A198 E199
Binding residue
(residue number reindexed from 1)		M77 G129 G131 E152 I153 L196 A197 E198
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016740 transferase activity
GO:0030410 nicotianamine synthase activity
GO:0042802 identical protein binding
Biological Process
GO:0030418 nicotianamine biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3fpf, PDBe:3fpf, PDBj:3fpf
PDBsum3fpf
PubMed19805277
UniProtO26771

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