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- ChemComp-6GU: 6-chloroguanine -

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Basic information

EntryDatabase: PDB chemical components / ID: 6GU
NameName: 6-chloroguanine / Synonyms: 6-chloro-9H-purin-2-amine

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Chemical information

Composition
Formula: C5H4ClN5 / Number of atoms: 15 / Formula weight: 169.572 / Formal charge: 0
Others

3e9z

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 6GU / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3E9Z
History
Create componentAug 26, 2008
Modify aromatic flagJun 4, 2011
Modify descriptorJun 4, 2011
Modify synonymsMar 1, 2021
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 10.04Clc2nc(nc1c2ncn1)N
CACTVS 3.341Nc1nc(Cl)c2nc[nH]c2n1
OpenEye OEToolkits 1.5.0c1[nH]c2c(n1)c(nc(n2)N)Cl

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SMILES CANONICAL

CACTVS 3.341Nc1nc(Cl)c2nc[nH]c2n1
OpenEye OEToolkits 1.5.0c1[nH]c2c(n1)c(nc(n2)N)Cl

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InChI

InChI 1.03InChI=1S/C5H4ClN5/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H3,7,8,9,10,11)

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InChIKey

InChI 1.03RYYIULNRIVUMTQ-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.046-chloro-9H-purin-2-amine
OpenEye OEToolkits 1.5.06-chloro-9H-purin-2-amine

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PDB entries

Showing all 6 items

PDB-3e9z:
Crystal structure of purine nucleoside phosphorylase from Schistosoma mansoni in complex with 6-chloroguanine

PDB-3fo4:
Crystal structure of guanine riboswitch C74U mutant bound to 6-chloroguanine

PDB-3ger:
Guanine riboswitch bound to 6-chloroguanine

PDB-3gog:
Guanine riboswitch A21G,U75C mutant bound to 6-chloroguanine

PDB-6q62:
Xanthomonas albilineans Dihydropteroate synthase in complex with (indole-2-carboxylic acid) and (6-chloroguanine)

PDB-6qoh:
Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 11 (2-Amino-6-chloropurine)

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