Structure of PDB 1lc7 Chain A Binding Site BS02

Receptor Information
>1lc7 Chain A (length=358) Species: 28901 (Salmonella enterica) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FNTAHGGNIREPATVLGISPDQLLDFSANINPLGMPVSVKRALIDNLDCI
ERYPDADYFHLHQALARHHQVPASWILAGNGETESIFTVASGLKPRRAMI
VTPGFAEYGRALAQSGCEIRRWSLREADGWQLTDAILEALTPDLDCLFLC
TPNNPTGLLPERPLLQAIADRCKSLNINLILDEAFIDFIPHETGFIPALK
DNPHIWVLRSLTKFYAIPGLRLGYLVNSDDAAMARMRRQQMPWSVNALAA
LAGEVALQDSAWQQATWHWLREEGARFYQALCQLPLLTVYPGRANYLLLR
CEREDIDLQRRLLTQRILIRSCANYPGLDSRYYRVAIRSAAQNERLLAAL
RNVLTGIA
Ligand information
Ligand IDTPO
InChIInChI=1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)/t2-,3+/m1/s1
InChIKeyUSRGIUJOYOXOQJ-GBXIJSLDSA-N
SMILES
SoftwareSMILES
CACTVS 3.341C[CH](O[P](O)(O)=O)[CH](N)C(O)=O
CACTVS 3.341C[C@@H](O[P](O)(O)=O)[C@H](N)C(O)=O
ACDLabs 10.04O=P(O)(O)OC(C(N)C(=O)O)C
OpenEye OEToolkits 1.5.0CC(C(C(=O)O)N)OP(=O)(O)O
OpenEye OEToolkits 1.5.0C[C@H]([C@@H](C(=O)O)N)OP(=O)(O)O
FormulaC4 H10 N O6 P
NamePHOSPHOTHREONINE;
PHOSPHONOTHREONINE
ChEMBL
DrugBank
ZINCZINC000001532464
PDB chain1lc7 Chain A Residue 990 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1lc7 Structural studies of the L-threonine-O-3-phosphate decarboxylase (CobD) enzyme from Salmonella enterica: the apo, substrate, and product-aldimine complexes.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		H8 G9 A31 N32 F108 N157 K216 R323 R337
Binding residue
(residue number reindexed from 1)		H5 G6 A28 N29 F105 N154 K213 R320 R334
Annotation score5
Enzymatic activity
Enzyme Commision number 4.1.1.81: threonine-phosphate decarboxylase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0016829 lyase activity
GO:0030170 pyridoxal phosphate binding
GO:0042802 identical protein binding
GO:0042803 protein homodimerization activity
GO:0048472 threonine-phosphate decarboxylase activity
Biological Process
GO:0009058 biosynthetic process
GO:0009236 cobalamin biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1lc7, PDBe:1lc7, PDBj:1lc7
PDBsum1lc7
PubMed12119022
UniProtP97084|COBD_SALTY Threonine-phosphate decarboxylase (Gene Name=cobD)

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