Structure of PDB 2gke Chain A Binding Site BS01

Receptor Information
>2gke Chain A (length=274) Species: 727 (Haemophilus influenzae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MQFSKMHGLGNDFVVVDGVTQNVFFTPETIRRLANRHCGIGFDQLLIVEA
PYDPELDFHYRIFNADGSEVSQCGNGARCFARFVTLKGLTNKKDISVSTQ
KGNMVLTVKDDNQIRVNMGEPIWEPAKIPFTANKFEKNYILRTDIQTVLC
GAVSMGNPHCVVQVDDIQTANVEQLGPLLESHERFPERVNAGFMQIINKE
HIKLRVYERGAGETQACGSGACAAVAVGIMQGLLNNNVQVDLPGGSLMIE
WNGVGHPLYMTGEATHIYDGFITL
Ligand information
Ligand IDZDP
InChIInChI=1S/C8H16N2O4/c1-8(10,7(13)14)4-2-3-5(9)6(11)12/h5H,2-4,9-10H2,1H3,(H,11,12)(H,13,14)/t5-,8-/m0/s1
InChIKeyTVZGBXIJPFGQBJ-XNCJUZBTSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.5C[C@](CCC[C@@H](C(=O)O)N)(C(=O)O)N
CACTVS 3.385C[C](N)(CCC[CH](N)C(O)=O)C(O)=O
OpenEye OEToolkits 1.7.5CC(CCCC(C(=O)O)N)(C(=O)O)N
CACTVS 3.385C[C@](N)(CCC[C@H](N)C(O)=O)C(O)=O
ACDLabs 10.04O=C(O)C(N)(CCCC(N)C(=O)O)C
FormulaC8 H16 N2 O4
Name(2S,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACID
ChEMBL
DrugBank
ZINC
PDB chain2gke Chain A Residue 700 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB2gke Structural insights into stereochemical inversion by diaminopimelate epimerase: An antibacterial drug target.
Resolution1.35 Å
Binding residue
(original residue number in PDB)		N11 F13 Q44 N64 V70 C73 G74 N75 N157 N190 E208 R209 C217 G218 S219
Binding residue
(residue number reindexed from 1)		N11 F13 Q44 N64 V70 C73 G74 N75 N157 N190 E208 R209 C217 G218 S219
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) C73 H159 E208 C217 G220
Catalytic site (residue number reindexed from 1) C73 H159 E208 C217 G220
Enzyme Commision number 5.1.1.7: diaminopimelate epimerase.
Gene Ontology
Molecular Function
GO:0008837 diaminopimelate epimerase activity
GO:0016853 isomerase activity
Biological Process
GO:0009085 lysine biosynthetic process
GO:0009089 lysine biosynthetic process via diaminopimelate
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:2gke, PDBe:2gke, PDBj:2gke
PDBsum2gke
PubMed16723397
UniProtP44859|DAPF_HAEIN Diaminopimelate epimerase (Gene Name=dapF)

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