Structure of PDB 1c0p Chain A Binding Site BS02

Receptor Information

>1c0p Chain A (length=363) Species: 5286 (Rhodotorula toruloides)

LMMHSQKRVVVLGSGVIGLSSALILARKGYSVHILARDLPEDVSSQTFAS
PWAGANWTPFMTLTDGPRQAKWEESTFKKWVELVPTGHAMWLKGTRRFAQ
NEDGLLGHWYKDITPNYRPLPSSECPPGAIGVTYDTLSVHAPKYCQYLAR
ELQKLGATFERRTVTSLEQAFDGADLVVNATGLGAKSIAGIDDQAAEPIR
GQTVLVKSPCKRCTMDSSDPASPAYIIPRPGGEVICGGTYGVGDWDLSVN
PETVQRILKHCLRLDPTISSDGTIEGIEVLRHNVGLRPARRGGPRVEAER
IVLPLDRTKSPLSLGRGSARAAKEKEVTLVHAYGFSSAGYQQSWGAAEDV
AQLVDEAFQRYHG

Ligand information

• Ligand ID: DAL
• InChI: InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1
• InChIKey: QNAYBMKLOCPYGJ-UWTATZPHSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: CC(C(=O)O)N
  CACTVS 3.341: C[CH](N)C(O)=O
  CACTVS 3.341: C[C@@H](N)C(O)=O
  ACDLabs 10.04: O=C(O)C(N)C
  OpenEye OEToolkits 1.5.0: C[C@H](C(=O)O)N
• Formula: C3 H7 N O2
• Name: D-ALANINE
• ChEMBL: CHEMBL66693
• DrugBank: DB01786
• ZINC: ZINC000004658556
• PDB chain: 1c0p Chain A Residue 1364

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1c0p The x-ray structure of D-amino acid oxidase at very high resolution identifies the chemical mechanism of flavin-dependent substrate dehydrogenation.
• Resolution: 1.2 Å
• Binding residue (original residue number in PDB): F1058 Y1223 Y1238 R1285 S1335
• Binding residue (residue number reindexed from 1): F60 Y225 Y240 R287 S337
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): N1054 S1335 Q1339
• Catalytic site (residue number reindexed from 1): N56 S337 Q341
• Enzyme Commision number: 1.4.3.3: D-amino-acid oxidase.

Gene Ontology

Molecular Function

• GO:0003884 D-amino-acid oxidase activity
• GO:0071949 FAD binding

Biological Process

• GO:0046416 D-amino acid metabolic process

External links

• PDB: RCSB:1c0p, PDBe:1c0p, PDBj:1c0p
• PDBsum: 1c0p
• PubMed: 11070076
• UniProt: P80324|OXDA_RHOTO D-amino-acid oxidase (Gene Name=DAO1)