Structure of PDB 3tce Chain B Binding Site BS01

Receptor Information
>3tce Chain B (length=291) Species: 575584 (Acinetobacter baumannii ATCC 19606 = CIP 70.34 = JCM 6841) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TIQGSIVAIVTPMLKDGGVDWKSLEKLVEWHIEQGTNSIVAVGTTGEAST
LSMEEHTQVIKEIIRVANKRIPIIAGTGANSTREAIELTKAAKDLGADAA
LLVTPYYNKPTQEGLYQHYKAIAEAVELPLILYNVPGRTGVDLSNDTAVR
LAEIPNIVGIKDATGDVPRGKALIDALNGKMAVYSGDDETAWELMLLGAD
GNISVTANIAPKAMSEVCAVAIAKDEQQAKTLNNKIANLHNILFCESNPI
PVKWALHEMGLIDTGIRLPLTPLAEQYREPLRNALKDAGII
Ligand information
Ligand IDLYZ
InChIInChI=1S/C6H14N2O3/c7-3-4(9)1-2-5(8)6(10)11/h4-5,9H,1-3,7-8H2,(H,10,11)/t4-,5+/m1/s1
InChIKeyYSMODUONRAFBET-UHNVWZDZSA-N
SMILES
SoftwareSMILES
CACTVS 3.341NC[C@H](O)CC[C@H](N)C(O)=O
CACTVS 3.341NC[CH](O)CC[CH](N)C(O)=O
OpenEye OEToolkits 1.5.0C(C[C@@H](C(=O)O)N)[C@H](CN)O
ACDLabs 10.04O=C(O)C(N)CCC(O)CN
OpenEye OEToolkits 1.5.0C(CC(C(=O)O)N)C(CN)O
FormulaC6 H14 N2 O3
Name5-HYDROXYLYSINE
ChEMBLCHEMBL457104
DrugBank
ZINCZINC000001719890
PDB chain3tce Chain B Residue 4990 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3tce Crystal structure of the complex of Dihydrodipicolinate synthase from Acinetobacter baumannii with 5-Hydroxylysine at 2.6 A resolution
Resolution2.6 Å
Binding residue
(original residue number in PDB)		A48 S49 L51 S52 M53 Y106
Binding residue
(residue number reindexed from 1)		A48 S49 L51 S52 M53 Y106
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) T44 Y107 Y133 R138 K161 I203
Catalytic site (residue number reindexed from 1) T44 Y107 Y133 R138 K161 I203
Enzyme Commision number 4.3.3.7: 4-hydroxy-tetrahydrodipicolinate synthase.
Gene Ontology
Molecular Function
GO:0008840 4-hydroxy-tetrahydrodipicolinate synthase activity
GO:0016829 lyase activity
GO:0046872 metal ion binding
Biological Process
GO:0009085 lysine biosynthetic process
GO:0009089 lysine biosynthetic process via diaminopimelate
GO:0019877 diaminopimelate biosynthetic process
GO:0044281 small molecule metabolic process
Cellular Component
GO:0005737 cytoplasm
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:3tce, PDBe:3tce, PDBj:3tce
PDBsum3tce
PubMed
UniProtD0CFC3

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