Structure of PDB 6q62 Chain B Binding Site BS02

Receptor Information

>6q62 Chain B (length=266) Species: 29447 (Xanthomonas albilineans)

FDTSPRLDCAGRILTLDRPRVMGIVNVTPDSFTHTTVEAAVAHGLRLAEE
GADLLDIGGESTAVPVEEELRRVIPVIERLVAQTALPLSVDTFKPEVMRA
AVAAGAGMINDVQALRQPGALDAVADLRVPVVLMHMPGDAPHYDDVVAEV
HRFLVERIFAAEMAGIDKRRLLIDPGFGFGKSTADNVQLLAHLPRLCELG
VPVLAGLSRKRSIGELTGRELPEQRVAGSVAAHLLAAQRGALLLRVHDVA
ATVDALTVWQAVQAVP

Ligand information

• Ligand ID: 6GU
• InChI: InChI=1S/C5H4ClN5/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H3,7,8,9,10,11)
• InChIKey: RYYIULNRIVUMTQ-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04: Clc2nc(nc1c2ncn1)N
  CACTVS 3.341: Nc1nc(Cl)c2nc[nH]c2n1
  OpenEye OEToolkits 1.5.0: c1[nH]c2c(n1)c(nc(n2)N)Cl
• Formula: C5 H4 Cl N5
• Name: 6-chloroguanine;
  6-chloro-9H-purin-2-amine
• ChEMBL: CHEMBL226396
• ZINC: ZINC000006523923
• PDB chain: 6q62 Chain B Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6q62 Xanthomonas albilineans Dihydropteroate synthase in complex with (indole-2-carboxylic acid) and (6-chloroguanine)
• Resolution: 1.5 Å
• Binding residue (original residue number in PDB): N120 M144 D190 F195 G222 K226 R261
• Binding residue (residue number reindexed from 1): N110 M134 D174 F179 G206 K210 R245
• Annotation score: 1

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

External links

• PDB: RCSB:6q62, PDBe:6q62, PDBj:6q62
• PDBsum: 6q62
• UniProt: D2UDM3