Structure of PDB 8cfg Chain A Binding Site BS04

Receptor Information

>8cfg Chain A (length=464) Species: 208964 (Pseudomonas aeruginosa PAO1)

TPAGFTDYKVADITLAAWGRRELIIAESEMPALMGLRRKYAGQQPLKGAK
ILGCIHMTIQTGVLIETLVALGAEVRWSSCNIFSTQDQAAAAIAAAGIPV
FAWKGETEEEYEWCIEQTILKDGQPWDANMVLDDGGDLTEILHKKYPQML
ERIHGITEETTTGVHRLLDMLKNGTLKVPAINVNDSVTKSKNDNKYGCRH
SLNDAIKRGTDHLLSGKQALVIGYGDVGKGSSQSLRQEGMIVKVAEVDPI
CAMQACMDGFEVVSPYKNGINDGTEASIDAALLGKIDLIVTTTGNVNVCD
ANMLKALKKRAVVCNIGHFDNEIDTAFMRKNWAWEEVKPQVHKIHRTGKD
GFDAHNDDYLILLAEGRLVNLGNATGHPSRIMDGSFANQVLAQIHLFEQK
YADLPAAEKAKRLSVEVLPKKLDEEVALEMVKGFGGVVTQLTPKQAEYIG
VSVEGPFKPDTYRY

Ligand information

• Ligand ID: R8S
• InChI: InChI=1S/C5H8N4O/c1-10-4-2-3-7-5(8-4)9-6/h2-3H,6H2,1H3,(H,7,8,9)
• InChIKey: HXQPYFMXCAIHAB-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.385: COc1ccnc(NN)n1
  OpenEye OEToolkits 2.0.6: COc1ccnc(n1)NN
  ACDLabs 12.01: c1(nc(ccn1)OC)NN
• Formula: C5 H8 N4 O
• Name: 2-hydrazinyl-4-methoxypyrimidine
• ZINC: ZINC000000330579
• PDB chain: 8cfg Chain A Residue 510

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8cfg Crystal structure of S-adenosyl-L-homocysteine hydrolase from P. aeruginosa in complex with fragment F2X-Entry C04
• Resolution: 1.73 Å
• Binding residue (original residue number in PDB): K14 V15 A16 W108
• Binding residue (residue number reindexed from 1): K9 V10 A11 W103
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.13.2.1: adenosylhomocysteinase.

Gene Ontology

Molecular Function

• GO:0004013 adenosylhomocysteinase activity
• GO:0016787 hydrolase activity

Biological Process

• GO:0006730 one-carbon metabolic process
• GO:0033353 S-adenosylmethionine cycle
• GO:0071269 L-homocysteine biosynthetic process

Cellular Component

• GO:0005737 cytoplasm
• GO:0005829 cytosol

External links

• PDB: RCSB:8cfg, PDBe:8cfg, PDBj:8cfg
• PDBsum: 8cfg
• UniProt: Q9I685|SAHH_PSEAE Adenosylhomocysteinase (Gene Name=ahcY)