Structure of PDB 4d99 Chain B Binding Site BS01

Receptor Information
>4d99 Chain B (length=324) 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]
HHLTRFPRLEFIGAPTPLEYLPRLSDYLGREIYIKRDDVTPIAMGGNKLR
KLEFLVADALREGADTLITAGAIQSNHVRQTAAVAAKLGLHCVALLENPI
GTTAENYLTNGNRLLLDLFNTQIEMCDALTDPDAQLQTLATRIEAQGFRP
YVIPVGGSSALGAMGYVESALEIAQQCEEVGLSSVVVASGSAGTHAGLAV
GLEHLMPDVELIGVTVSRSVAEQKPKVIALQQAIAGQLALTATADIHLWD
DYFAPGYGVPNDAGMEAVKLLASLEGVLLDPVYTGKAMAGLIDGISQKRF
NDDGPILFIHTGGAPALFAYHPHV
Ligand information
Ligand IDSER
InChIInChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1
InChIKeyMTCFGRXMJLQNBG-REOHCLBHSA-N
SMILES
SoftwareSMILES
CACTVS 3.341N[CH](CO)C(O)=O
OpenEye OEToolkits 1.5.0C(C(C(=O)O)N)O
CACTVS 3.341N[C@@H](CO)C(O)=O
ACDLabs 10.04O=C(O)C(N)CO
OpenEye OEToolkits 1.5.0C([C@@H](C(=O)O)N)O
FormulaC3 H7 N O3
NameSERINE
ChEMBLCHEMBL11298
DrugBankDB00133
ZINCZINC000000895034
PDB chain4d99 Chain B Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4d99 Structural and Mutational Studies on Substrate Specificity and Catalysis of Salmonella typhimurium D-Cysteine Desulfhydrase.
Resolution2.01 Å
Binding residue
(original residue number in PDB)		X51 S78 N79 H80 G159 Y287
Binding residue
(residue number reindexed from 1)		X48 S75 N76 H77 G156 Y283
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) K51 Y261 Y287
Catalytic site (residue number reindexed from 1) K48 Y257 Y283
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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4d99, PDBe:4d99, PDBj:4d99
PDBsum4d99
PubMed22574144
UniProtQ8ZNT7|DCYD_SALTY D-cysteine desulfhydrase (Gene Name=dcyD)

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