Structure of PDB 4d8u Chain A Binding Site BS01

Receptor Information

>4d8u Chain A (length=330) Species: 90371 (Salmonella enterica subsp. enterica serovar Typhimurium)

ASMPLHHLTRFPRLEFIGAPTPLEYLPRLSDYLGREIYIKRDDVTPIAMG
GNKLRKLEFLVADALREGADTLITAGAIQSNHVRQTAAVAAKLGLHCVAL
LENPIGTTAENYLTNGNRLLLDLFNTQIEMCDALTDPDAQLQTLATRIEA
QGFRPYVIPVGGSSALGAMGYVESALEIAQQCEEVVGLSSVVVASGSAGT
HAGLAVGLEHLMPDVELIGVTVSRSVAEQKPKVIALQQAIAGQLALTATA
DIHLWDDYFAPGYGVPNDAGMEAVKLLASLEGVLLDPVYTGKAMAGLIDG
ISQKRFNDDGPILFIHTGGAPALFAYHPHV

Ligand information

• Ligand ID: PO4
• InChI: InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
• InChIKey: NBIIXXVUZAFLBC-UHFFFAOYSA-K
• SMILES:
  CACTVS 3.341: [O-][P]([O-])([O-])=O
  ACDLabs 10.04: [O-]P([O-])([O-])=O
  OpenEye OEToolkits 1.5.0: [O-]P(=O)([O-])[O-]
• Formula: O4 P
• Name: PHOSPHATE ION
• DrugBank: DB14523
• PDB chain: 4d8u Chain A Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4d8u Structural and Mutational Studies on Substrate Specificity and Catalysis of Salmonella typhimurium D-Cysteine Desulfhydrase.
• Resolution: 3.3 Å
• Binding residue (original residue number in PDB): X51 S78 N79 H80 Y287
• Binding residue (residue number reindexed from 1): X53 S80 N81 H82 Y289
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): K51 Y261 Y287
• Catalytic site (residue number reindexed from 1): K53 Y263 Y289
• 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:4d8u, PDBe:4d8u, PDBj:4d8u
• PDBsum: 4d8u
• PubMed: 22574144
• UniProt: Q8ZNT7|DCYD_SALTY D-cysteine desulfhydrase (Gene Name=dcyD)