Structure of PDB 5th5 Chain A Binding Site BS03

Receptor Information
>5th5 Chain A (length=241) Species: 1423 (Bacillus subtilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KGIPVLEIFGPTIQGEGMVIGQKTMFVRTAGCDYSCSWCDSAFTWDGSAK
KDIRWMTAEEIFAELKDIGGDAFSHVTISGGNPALLKQLDAFIELLKENN
IRAALETQGTVYQDWFTLIDDLTISPKPPSSKMVTNFQKLDHILTSLQEN
DRQHAVSLKVVIFNDEDLEFAKTVHKRYPGIPFYLQVGNDDVHTTDDQSL
IAHLLGKYEALVDKVAVDAELNLVRVLPQLHTLLWGNKRGV
Ligand information
Ligand IDMET
InChIInChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
InChIKeyFFEARJCKVFRZRR-BYPYZUCNSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CSCC[CH](N)C(O)=O
OpenEye OEToolkits 1.5.0CSCCC(C(=O)O)N
CACTVS 3.341CSCC[C@H](N)C(O)=O
OpenEye OEToolkits 1.5.0CSCC[C@@H](C(=O)O)N
ACDLabs 10.04O=C(O)C(N)CCSC
FormulaC5 H11 N O2 S
NameMETHIONINE
ChEMBLCHEMBL42336
DrugBankDB00134
ZINCZINC000001532529
PDB chain5th5 Chain A Residue 303 [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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PDB5th5 7-Carboxy-7-deazaguanine Synthase: A Radical S-Adenosyl-l-methionine Enzyme with Polar Tendencies.
Resolution2.407 Å
Binding residue
(original residue number in PDB)		S81 G82 G83 E108 T109 Q110 K129
Binding residue
(residue number reindexed from 1)		S79 G80 G81 E106 T107 Q108 K127
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) F28 C34 C41 D42 S43 E108
Catalytic site (residue number reindexed from 1) F26 C32 C39 D40 S41 E106
Enzyme Commision number 4.3.99.3: 7-carboxy-7-deazaguanine synthase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0003824 catalytic activity
GO:0016829 lyase activity
GO:0016840 carbon-nitrogen lyase activity
GO:0042803 protein homodimerization activity
GO:0046872 metal ion binding
GO:0051536 iron-sulfur cluster binding
GO:0051539 4 iron, 4 sulfur cluster binding
GO:1904047 S-adenosyl-L-methionine binding
Biological Process
GO:0008616 queuosine biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5th5, PDBe:5th5, PDBj:5th5
PDBsum5th5
PubMed28045519
UniProtO31677|QUEE_BACSU 7-carboxy-7-deazaguanine synthase (Gene Name=queE)

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