Structure of PDB 1wyv Chain E Binding Site BS02

Receptor Information

>1wyv Chain E (length=437) Species: 300852 (Thermus thermophilus HB8)

MDYTPHTEEEIREMLRRVGAASLEDLFAHLPKEILSPPIDLPEPLPEWKV
LEELRRLAAQNLPAHKAFLGGGVRSHHVPPVVQALAARGEFLTAYTPYQP
EVSQGVLQATFEYQTMIAELAGLEIANASMYDGATALAEGVLLALRETGR
MGVLVSQGVHPEYRAVLRAYLEAVGAKLLTLPLEGGRTPLPEVGEEVGAV
VVQNPNFLGALEDLGPFAEAAHGAGALFVAVADPLSLGVLKPPGAYGADI
AVGDGQSLGLPMGFGGPHFGFLATKKAFVRQLPGRLVSETVDVEGRRGFI
LTLQAREQYIRRAKAKSNITTNAQLTALMGAMYLAALGPEGLREVALKSV
EMAHKLHALLLEVPGVRPFTPKPFFNEFALALPKDPEAVRRALAERGFHG
ATPVPREYGENLALFAATELHEEEDLLALREALKEVL

Ligand information

• Ligand ID: AOA
• InChI: InChI=1S/C2H5NO3/c3-6-1-2(4)5/h1,3H2,(H,4,5)
• InChIKey: NQRKYASMKDDGHT-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04: O=C(O)CON
  OpenEye OEToolkits 1.5.0: C(C(=O)O)ON
  CACTVS 3.341: NOCC(O)=O
• Formula: C2 H5 N O3
• Name: (AMINOOXY)ACETIC ACID
• ChEMBL: CHEMBL347862
• DrugBank: DB02079
• ZINC: ZINC000004689151
• PDB chain: 1wyv Chain F Residue 3476

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1wyv Structure of P-protein of the glycine cleavage system: implications for nonketotic hyperglycinemia
• Resolution: 2.4 Å
• Binding residue (original residue number in PDB): Y95 Y98 Q308 T320
• Binding residue (residue number reindexed from 1): Y95 Y98 Q308 T320
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 1.4.4.2: glycine dehydrogenase (aminomethyl-transferring).

Gene Ontology

Molecular Function

• GO:0004375 glycine dehydrogenase (decarboxylating) activity
• GO:0016491 oxidoreductase activity

Biological Process

• GO:0006546 glycine catabolic process
• GO:0009116 nucleoside metabolic process
• GO:0019464 glycine decarboxylation via glycine cleavage system

External links

• PDB: RCSB:1wyv, PDBe:1wyv, PDBj:1wyv
• PDBsum: 1wyv
• PubMed: 15791207
• UniProt: Q5SKW8