Structure of PDB 4go7 Chain X Binding Site BS01

Receptor Information
>4go7 Chain X (length=165) Species: 1773 (Mycobacterium tuberculosis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SIHMEDPILTGVAHDRSEAKVTIVGLPDIPGYAAKVFRAVADADVNIDMV
LQNVSKDGKTDITFTCSRDVGPAAVEKLDSLRNEIGFSQLLYDDHIGKVS
LIGAGMRSHPGVTATFCEALAAVGVNIELISTSEIRISVLCRDTELDKAV
VALHEAFGLEATVYA
Ligand information
Ligand IDTHR
InChIInChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m1/s1
InChIKeyAYFVYJQAPQTCCC-GBXIJSLDSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C(N)C(O)C
OpenEye OEToolkits 1.5.0CC(C(C(=O)O)N)O
CACTVS 3.341C[CH](O)[CH](N)C(O)=O
CACTVS 3.341C[C@@H](O)[C@H](N)C(O)=O
OpenEye OEToolkits 1.5.0C[C@H]([C@@H](C(=O)O)N)O
FormulaC4 H9 N O3
NameTHREONINE
ChEMBLCHEMBL291747
DrugBankDB00156
ZINCZINC000000895103
PDB chain4go7 Chain X Residue 201 [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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PDB4go7 Structural view of the regulatory subunit of aspartate kinase from Mycobacterium tuberculosis.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		I26 G28 Y29 A30 Q49
Binding residue
(residue number reindexed from 1)		I29 G31 Y32 A33 Q52
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.2.4: aspartate kinase.
External links
PDB RCSB:4go7, PDBe:4go7, PDBj:4go7
PDBsum4go7
PubMed21976064
UniProtP9WPX3|AK_MYCTU Aspartokinase (Gene Name=ask)

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