Structure of PDB 6u6c Chain E Binding Site BS01

Receptor Information
>6u6c Chain E (length=245) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ASRLGPVFDSCRANNRAALIGYLPTGYPDVPASVAAMTALVESGCDIIEV
GVPYSDPGMDGPTIARATEAALRGGVRVRDTLAAVEAISIAGGRAVVMTY
WNPVLRYGVDAFARDLAAAGGLGLITPDLIPDEAQQWLAASEEHRLDRIF
LVAPSSTPERLAATVEASRGFVYAASQAAPELVGRVKAVSDIPVGVGLGV
RSRAQAAQIAQYADGVIVGSALVTALTEGLPRLRALTGELAAGVR
Ligand information
Ligand IDALA
InChIInChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1
InChIKeyQNAYBMKLOCPYGJ-REOHCLBHSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C(=O)O)N
CACTVS 3.341C[CH](N)C(O)=O
ACDLabs 10.04O=C(O)C(N)C
CACTVS 3.341C[C@H](N)C(O)=O
OpenEye OEToolkits 1.5.0C[C@@H](C(=O)O)N
FormulaC3 H7 N O2
NameALANINE
ChEMBLCHEMBL279597
DrugBankDB00160
ZINCZINC000004658553
PDB chain6u6c Chain E Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6u6c Allosteric inhibitors of Mycobacterium tuberculosis tryptophan synthase.
Resolution2.402 Å
Binding residue
(original residue number in PDB)		A262 G263 R265
Binding residue
(residue number reindexed from 1)		A242 G243 R245
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) E57 D68 Y181
Catalytic site (residue number reindexed from 1) E49 D60 Y173
Enzyme Commision number 4.2.1.20: tryptophan synthase.
Gene Ontology
Molecular Function
GO:0004834 tryptophan synthase activity
GO:0016829 lyase activity
Biological Process
GO:0000162 tryptophan biosynthetic process
GO:0006568 tryptophan metabolic process
Cellular Component
GO:0005829 cytosol
GO:0005886 plasma membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6u6c, PDBe:6u6c, PDBj:6u6c
PDBsum6u6c
PubMed31930594
UniProtP9WFY1|TRPA_MYCTU Tryptophan synthase alpha chain (Gene Name=trpA)

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