Structure of PDB 3iu7 Chain A Binding Site BS04

Receptor Information
>3iu7 Chain A (length=284) Species: 1773 (Mycobacterium tuberculosis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PSRTALSPGVLSPTRPVPNWIARPEYVGKPAAQEGSEPWVQTPEVIEKMR
VAGRIAAGALAEAGKAVAPGVTTDELDRIAHEYLVDNGAYPSTLGYKGFP
KSCCTSLNEVICHGIPDSTVITDGDIVNIDVTAYIGGVHGDTNATFPAGD
VADEHRLLVDRTREATMRAINTVKPGRALSVIGRVIESYANRFGYNVVRD
FTGHGIGTTFHNGLVVLHYDQPAVETIMQPGMTFTIEPMINLGALDYEIW
DDGWTVVTKDRKWTAQFEHTLLVTDTGVEILTCL
Ligand information
Ligand IDFCD
InChIInChI=1S/C11H7ClO3/c12-8-4-2-1-3-7(8)9-5-6-10(15-9)11(13)14/h1-6H,(H,13,14)
InChIKeyPJGGWIHXGHQXMM-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)c2oc(c1c(Cl)cccc1)cc2
CACTVS 3.341OC(=O)c1oc(cc1)c2ccccc2Cl
OpenEye OEToolkits 1.5.0c1ccc(c(c1)c2ccc(o2)C(=O)O)Cl
FormulaC11 H7 Cl O3
Name5-(2-CHLOROPHENYL)FURAN-2-CARBOXYLIC ACID
ChEMBLCHEMBL200238
DrugBankDB02909
ZINCZINC000000280585
PDB chain3iu7 Chain A Residue 289 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3iu7 Catalysis and Inhibition of Mycobacterium tuberculosis Methionine Aminopeptidase
Resolution1.4 Å
Binding residue
(original residue number in PDB)		N144 R164 M168 F268 E269 H270
Binding residue
(residue number reindexed from 1)		N143 R163 M167 F267 E268 H269
Annotation score1
Binding affinityMOAD: ic50=16uM
PDBbind-CN: -logKd/Ki=4.80,IC50=16uM
Enzymatic activity
Catalytic site (original residue number in PDB) H114 D131 D142 G204 H205 G208 H212 L215 E238 N242 E269
Catalytic site (residue number reindexed from 1) H113 D130 D141 G203 H204 G207 H211 L214 E237 N241 E268
Enzyme Commision number 3.4.11.18: methionyl aminopeptidase.
Gene Ontology
Molecular Function
GO:0004177 aminopeptidase activity
GO:0004239 initiator methionyl aminopeptidase activity
GO:0005506 iron ion binding
GO:0008235 metalloexopeptidase activity
GO:0046872 metal ion binding
GO:0046914 transition metal ion binding
GO:0050897 cobalt ion binding
GO:0070006 metalloaminopeptidase activity
Biological Process
GO:0006508 proteolysis
GO:0016485 protein processing
Cellular Component
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:3iu7, PDBe:3iu7, PDBj:3iu7
PDBsum3iu7
PubMed20038112
UniProtP9WK19|MAP12_MYCTU Methionine aminopeptidase 2 (Gene Name=map)

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