Structure of PDB 3zok Chain D Binding Site BS03

Receptor Information
>3zok Chain D (length=365) Species: 3625 (Actinidia chinensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PTIVDVDLGDRSYPIYIGSGLLDQPDLLQRHVHGKRVLVVTNSTVAPIYL
DKVVGALTNENPNVSVESVILPDGEKYKNMDTLMKVFDKAIESRLDRRCT
FVALGGGVIGDMCGYAAASFLRGVNFIQIPTTVMAQVDSSVGGKTGINHR
LGKNLIGAFYQPQCVLIDTDTLNTLPDRELASGLAEVVKYGLIRDANFFE
WQEKNMPALMARDPSALAYAIKRSCENKAEVVSLDEKESGLRATLNLGHT
FGHAIETGFGYGQWLHGEAVAAGMVMAVDMSYRLGWIDESIVNRAHNILQ
QAKLPTAPPETMTVEMFKSVMAVDKKVADGLLRLILLKGPLGNCVFTGDY
DRKALDETLHAFCKS
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 chain3zok Chain D Residue 1387 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3zok Biochemical and structural characterisation of dehydroquinate synthase from the New Zealand kiwifruit Actinidia chinensis.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		K350 D361
Binding residue
(residue number reindexed from 1)		K338 D349
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) R134 K156 E198 K240 E250 R254 N258 H261 H265 H278
Catalytic site (residue number reindexed from 1) R122 K144 E186 K228 E238 R242 N246 H249 H253 H266
Enzyme Commision number 4.2.3.4: 3-dehydroquinate synthase.
Gene Ontology
Molecular Function
GO:0003856 3-dehydroquinate synthase activity
GO:0016838 carbon-oxygen lyase activity, acting on phosphates
Biological Process
GO:0009073 aromatic amino acid family biosynthetic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3zok, PDBe:3zok, PDBj:3zok
PDBsum3zok
PubMed23916589
UniProtU3KRF2|DHQS_ACTCC 3-dehydroquinate synthase, chloroplastic (Gene Name=DHQS)

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