Structure of PDB 4pzk Chain A Binding Site BS01

Receptor Information
>4pzk Chain A (length=159) Species: 261594 (Bacillus anthracis str. 'Ames Ancestor') [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GVHVVLYQPEIPANTGNIARTCAATGTELHLIRPLGFSTDDKMLKRAGLD
YWQHVKITYYDSIEEFYEKNKDGEFFYLTKYGEKAHTAFDYSKREKDYYF
VFGRETNGLPANVIEENFDHCLRIPMTDKVRSLNLSNTAAILIYEAFRQQ
NYPGLDLEI
Ligand information
Ligand IDSAH
InChIInChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1
InChIKeyZJUKTBDSGOFHSH-WFMPWKQPSA-N
SMILES
SoftwareSMILES
CACTVS 3.341N[CH](CCSC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)C(O)=O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CSCCC(C(=O)O)N)O)O)N
CACTVS 3.341N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23)C(O)=O
ACDLabs 10.04O=C(O)C(N)CCSCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N
FormulaC14 H20 N6 O5 S
NameS-ADENOSYL-L-HOMOCYSTEINE
ChEMBLCHEMBL418052
DrugBankDB01752
ZINCZINC000004228232
PDB chain4pzk Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4pzk Crystal strucrure of putative RNA methyltransferase from Bacillus anthracis.
Resolution1.5 Å
Binding residue
(original residue number in PDB)		L79 T80 K81 F103 G104 R105 E106 T107 G109 R124 I125 M127 S133 L134 T139
Binding residue
(residue number reindexed from 1)		L78 T79 K80 F102 G103 R104 E105 T106 G108 R123 I124 M126 S132 L133 T138
Annotation score5
Enzymatic activity
Enzyme Commision number 2.1.1.207: tRNA (cytidine(34)-2'-O)-methyltransferase.
Gene Ontology
Molecular Function
GO:0003723 RNA binding
GO:0008168 methyltransferase activity
GO:0008173 RNA methyltransferase activity
GO:0008175 tRNA methyltransferase activity
GO:0008757 S-adenosylmethionine-dependent methyltransferase activity
GO:0141098 tRNA (cytidine(34)-2'-O)-methyltransferase activity
GO:0141102 tRNA (5-carboxymethylaminomethyluridine(34)-2'-O)-methyltransferase activity
Biological Process
GO:0001510 RNA methylation
GO:0002131 wobble position cytosine ribose methylation
GO:0002132 wobble position uridine ribose methylation
GO:0006396 RNA processing
GO:0008033 tRNA processing
GO:0030488 tRNA methylation
GO:0032259 methylation
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:4pzk, PDBe:4pzk, PDBj:4pzk
PDBsum4pzk
PubMed
UniProtA0A6L7HQJ3

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