Structure of PDB 5b7p Chain B Binding Site BS01

Receptor Information
>5b7p Chain B (length=247) Species: 380703 (Aeromonas hydrophila subsp. hydrophila ATCC 7966) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SAPILIQGAMDVEVETLVAALKDKQELTVGSWTYWQGTLSGYPVVVSRTE
VGLANAAAATTLAMERFQPRLVINQGTAGGHDPALHRGDIVIGTKSFNMG
AYRSDLTPAEQGVDPSKWHNFEVTMRLRDNGKLVEHSSFAGDPELVGRAL
GMADRYRHGRVVPGIIGTADEWNRQVARINWLHQTYQTAAEMETSSAALV
AEAYKVPFVGIRVLSNTDLHGEEFDPQTAIHCQQFVIDYAKALINGF
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 chain5b7p Chain B Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5b7p Structural and Functional Analyses of Periplasmic 5'-Methylthioadenosine/S-Adenosylhomocysteine Nucleosidase from Aeromonas hydrophila.
Resolution1.49 Å
Binding residue
(original residue number in PDB)		T104 A105 G106 W199 E218 M220 E221 N244
Binding residue
(residue number reindexed from 1)		T77 A78 G79 W172 E191 M192 E193 N216
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) A90
Catalytic site (residue number reindexed from 1) A63
Enzyme Commision number 3.2.2.16: methylthioadenosine nucleosidase.
3.2.2.9: adenosylhomocysteine nucleosidase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0008782 adenosylhomocysteine nucleosidase activity
GO:0008930 methylthioadenosine nucleosidase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
Biological Process
GO:0009116 nucleoside metabolic process
GO:0019284 L-methionine salvage from S-adenosylmethionine
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5b7p, PDBe:5b7p, PDBj:5b7p
PDBsum5b7p
PubMed28862845
UniProtA0KGU9

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