Structure of PDB 4d8u Chain E Binding Site BS01

Receptor Information
>4d8u Chain E (length=330) Species: 90371 (Salmonella enterica subsp. enterica serovar Typhimurium) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ASMPLHHLTRFPRLEFIGAPTPLEYLPRLSDYLGREIYIKRDDVTPIAMG
GNKLRKLEFLVADALREGADTLITAGAIQSNHVRQTAAVAAKLGLHCVAL
LENPIGTTAENYLTNGNRLLLDLFNTQIEMCDALTDPDAQLQTLATRIEA
QGFRPYVIPVGGSSALGAMGYVESALEIAQQCEEVVGLSSVVVASGSAGT
HAGLAVGLEHLMPDVELIGVTVSRSVAEQKPKVIALQQAIAGQLALTATA
DIHLWDDYFAPGYGVPNDAGMEAVKLLASLEGVLLDPVYTGKAMAGLIDG
ISQKRFNDDGPILFIHTGGAPALFAYHPHV
Ligand information
Ligand IDPO4
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-K
SMILES
SoftwareSMILES
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-]
FormulaO4 P
NamePHOSPHATE ION
ChEMBL
DrugBankDB14523
ZINC
PDB chain4d8u Chain E Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4d8u Structural and Mutational Studies on Substrate Specificity and Catalysis of Salmonella typhimurium D-Cysteine Desulfhydrase.
Resolution3.3 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 score1
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

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Molecular Function

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Biological Process
External links
PDB RCSB:4d8u, PDBe:4d8u, PDBj:4d8u
PDBsum4d8u
PubMed22574144
UniProtQ8ZNT7|DCYD_SALTY D-cysteine desulfhydrase (Gene Name=dcyD)

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