Structure of PDB 3tqe Chain A Binding Site BS01

Receptor Information
>3tqe Chain A (length=316) Species: 777 (Coxiella burnetii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SYVMPQSFAFVFPGQGSQHLGMLAELGLQQPIVLETFQQASSALAYDLWA
LVQHGPQERLDQTQFTQPALLTADVAIFRCWEALGGPKPQVMAGHSLGEY
AALVCAGALKFEEAVKLVEKRGQYMQEAVPVGEGAMGAIIGLNEAEIESI
CENAALGQVVQPANLNSTDQTVISGHSEAVDRALNMAKTEGAKIAKRIPV
SVPSHCPLMQPAADRLAQDIAKISIDSPKVPVIHNVDVVDHNEANIIRGA
LIKQLVRPVRWVETIKYIEEQGIKVFMECGPDNKLAGLIKRIDRQSEILP
LTTTELILTAIKRLTH
Ligand information
Ligand IDGLY
InChIInChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)
InChIKeyDHMQDGOQFOQNFH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C(=O)O)N
CACTVS 3.341NCC(O)=O
ACDLabs 10.04O=C(O)CN
FormulaC2 H5 N O2
NameGLYCINE
ChEMBLCHEMBL773
DrugBankDB00145
ZINCZINC000004658552
PDB chain3tqe Chain A Residue 314 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3tqe Structural genomics for drug design against the pathogen Coxiella burnetii.
Resolution1.5 Å
Binding residue
(original residue number in PDB)		Q12 S93 S201 H202
Binding residue
(residue number reindexed from 1)		Q15 S96 S204 H205
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Q12 S93 L94 R118 H202 Q251
Catalytic site (residue number reindexed from 1) Q15 S96 L97 R121 H205 Q254
Enzyme Commision number 2.3.1.39: [acyl-carrier-protein] S-malonyltransferase.
Gene Ontology
Molecular Function
GO:0004314 [acyl-carrier-protein] S-malonyltransferase activity
GO:0016740 transferase activity
GO:0016746 acyltransferase activity
Biological Process
GO:0006633 fatty acid biosynthetic process
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3tqe, PDBe:3tqe, PDBj:3tqe
PDBsum3tqe
PubMed26033498
UniProtQ83E39

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