Structure of PDB 1yl7 Chain B Binding Site BS01

Receptor Information
>1yl7 Chain B (length=244) Species: 1773 (Mycobacterium tuberculosis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ARVGVLGAKGKVGATMVRAVAAADDLTLSAELDAGDPLSLLTDGNTEVVI
DFTHPDVVMGNLEFLIDNGIHAVVGTTGFTAERFQQVESWLVAKPNTSVL
IAPNFAIGAVLSMHFAKQAARFFDSAEVIELHHPHKADAPSGTAARTAKL
IAEARKGLPPNPDATSTSLPGARGADVDGIPVHAVRLAGLVAHQEVLFGT
EGETLTIRHDSLDRTSFVPGVLLAVRRIAERPGLTVGLEPLLDL
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain1yl7 Chain B Residue 404 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1yl7 The structure of dihydrodipicolinate reductase (DapB) from Mycobacterium tuberculosis in three crystal forms.
Resolution2.34 Å
Binding residue
(original residue number in PDB)		V20 A21 A23 L26
Binding residue
(residue number reindexed from 1)		V20 A21 A23 L26
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H132 K136
Catalytic site (residue number reindexed from 1) H132 K136
Enzyme Commision number 1.17.1.8: 4-hydroxy-tetrahydrodipicolinate reductase.
Gene Ontology
Molecular Function
GO:0008839 4-hydroxy-tetrahydrodipicolinate reductase
GO:0016491 oxidoreductase activity
GO:0016726 oxidoreductase activity, acting on CH or CH2 groups, NAD or NADP as acceptor
GO:0050661 NADP binding
GO:0051287 NAD binding
GO:0070402 NADPH binding
GO:0070404 NADH binding
Biological Process
GO:0009085 lysine biosynthetic process
GO:0009089 lysine biosynthetic process via diaminopimelate
GO:0019877 diaminopimelate biosynthetic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0005886 plasma membrane
GO:0009274 peptidoglycan-based cell wall

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1yl7, PDBe:1yl7, PDBj:1yl7
PDBsum1yl7
PubMed20057050
UniProtP9WP23|DAPB_MYCTU 4-hydroxy-tetrahydrodipicolinate reductase (Gene Name=dapB)

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