Structure of PDB 4d99 Chain C Binding Site BS01

Receptor Information

>4d99 Chain C (length=323) Species: 90371 (Salmonella enterica subsp. enterica serovar Typhimurium)

LTRFPRLEFIGAPTPLEYLPRLSDYLGREIYIKRDDVTPIAMGGNKLRKL
EFLVADALREGADTLITAGAIQSNHVRQTAAVAAKLGLHCVALLENPIGT
TAENYLTNGNRLLLDLFNTQIEMCDALTDPDAQLQTLATRIEAQGFRPYV
IPVGGSSALGAMGYVESALEIAQQCEEVVGLSSVVVASGSAGTHAGLAVG
LEHLMPDVELIGVTVSRSVAEQKPKVIALQQAIAGQLALTATADIHLWDD
YFAPGYGVPNDAGMEAVKLLASLEGVLLDPVYTGKAMAGLIDGISQKRFN
DDGPILFIHTGGAPALFAYHPHV

Ligand information

• Ligand ID: SER
• InChI: InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1
• InChIKey: MTCFGRXMJLQNBG-REOHCLBHSA-N
• SMILES:
  CACTVS 3.341: N[CH](CO)C(O)=O
  OpenEye OEToolkits 1.5.0: C(C(C(=O)O)N)O
  CACTVS 3.341: N[C@@H](CO)C(O)=O
  ACDLabs 10.04: O=C(O)C(N)CO
  OpenEye OEToolkits 1.5.0: C([C@@H](C(=O)O)N)O
• Formula: C3 H7 N O3
• Name: SERINE
• ChEMBL: CHEMBL11298
• DrugBank: DB00133
• ZINC: ZINC000000895034
• PDB chain: 4d99 Chain C Residue 402

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4d99 Structural and Mutational Studies on Substrate Specificity and Catalysis of Salmonella typhimurium D-Cysteine Desulfhydrase.
• Resolution: 2.01 Å
• Binding residue (original residue number in PDB): X51 G74 A75 S78 N79 H80 G159 Y261 Y287
• Binding residue (residue number reindexed from 1): X46 G69 A70 S73 N74 H75 G154 Y256 Y282
• Annotation score: 2

Enzymatic activity

• Catalytic site (original residue number in PDB): K51 Y261 Y287
• Catalytic site (residue number reindexed from 1): K46 Y256 Y282
• Enzyme Commision number: 4.4.1.15: D-cysteine desulfhydrase.

Gene Ontology

Molecular Function

• GO:0003824 catalytic activity
• GO:0016829 lyase activity
• GO:0019148 D-cysteine desulfhydrase activity

Biological Process

• GO:0046416 D-amino acid metabolic process

External links

• PDB: RCSB:4d99, PDBe:4d99, PDBj:4d99
• PDBsum: 4d99
• PubMed: 22574144
• UniProt: Q8ZNT7|DCYD_SALTY D-cysteine desulfhydrase (Gene Name=dcyD)