Structure of PDB 6q62 Chain C Binding Site BS02

Receptor Information
>6q62 Chain C (length=268) Species: 29447 (Xanthomonas albilineans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SPRLDCAGRILTLDRPRVMGIVNVTPDSFSDGGTHTTVEAAVAHGLRLAE
EGADLLDIGGERPGATAVPVEEELRRVIPVIERLVAQTALPLSVDTFKPE
VMRAAVAAGAGMINDVQALRQPGALDAVADLRVPVVLMHMPAPHYDDVVA
EVHRFLVERIFAAEMAGIDKRRLLIDPGFGFGKSTADNVQLLAHLPRLCE
LGVPVLAGLSRKRSIGELTGRELPEQRVAGSVAAHLLAAQRGALLLRVHD
VAATVDALTVWQAVQAVP
Ligand information
Ligand ID6GU
InChIInChI=1S/C5H4ClN5/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H3,7,8,9,10,11)
InChIKeyRYYIULNRIVUMTQ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
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
FormulaC5 H4 Cl N5
Name6-chloroguanine;
6-chloro-9H-purin-2-amine
ChEMBLCHEMBL226396
DrugBank
ZINCZINC000006523923
PDB chain6q62 Chain C Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6q62 Xanthomonas albilineans Dihydropteroate synthase in complex with (indole-2-carboxylic acid) and (6-chloroguanine)
Resolution1.5 Å
Binding residue
(original residue number in PDB)		N120 M144 D190 F195 G222 K226 R261
Binding residue
(residue number reindexed from 1)		N114 M138 D176 F181 G208 K212 R247
Annotation score1
Enzymatic activity
Enzyme Commision number 2.5.1.15: dihydropteroate synthase.
Gene Ontology
Molecular Function
GO:0004156 dihydropteroate synthase activity
GO:0016740 transferase activity
GO:0046872 metal ion binding
Biological Process
GO:0009396 folic acid-containing compound biosynthetic process
GO:0042558 pteridine-containing compound metabolic process
GO:0044237 cellular metabolic process
GO:0046654 tetrahydrofolate biosynthetic process
GO:0046656 folic acid biosynthetic process
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:6q62, PDBe:6q62, PDBj:6q62
PDBsum6q62
PubMed
UniProtD2UDM3

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