Structure of PDB 4if7 Chain A Binding Site BS03

Receptor Information
>4if7 Chain A (length=282) Species: 1773 (Mycobacterium tuberculosis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RTALSPGVLSPTRPVPNWIARPEYVGKPAAQEGSEPWVQTPEVIEKMRVA
GRIAAGALAEAGKAVAPGVTTDELDRIAHEYLVDNGAYPSTLGYKGFPKS
CCTSLNEVICHGIPDSTVITDGDIVNIDVTAYIGGVHGDTNATFPAGDVA
DEHRLLVDRTREATMRAINTVKPGRALSVIGRVIESYANRFGYNVVRDFT
GHGIGTTFHNGLVVLHYDQPAVETIMQPGMTFTIEPMINLGALDYEIWDD
GWTVVTKDRKWTAQFEHTLLVTDTGVEILTCL
Ligand information
Ligand IDHCM
InChIInChI=1S/C5H11NO2S2/c1-9-10-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
InChIKeyFBHYROPXAAGPRS-BYPYZUCNSA-N
SMILES
SoftwareSMILES
CACTVS 3.370CSSCC[CH](N)C(O)=O
OpenEye OEToolkits 1.7.6CSSCC[C@@H](C(=O)O)N
CACTVS 3.370CSSCC[C@H](N)C(O)=O
OpenEye OEToolkits 1.7.6CSSCCC(C(=O)O)N
ACDLabs 12.01O=C(O)C(N)CCSSC
FormulaC5 H11 N O2 S2
Name(2S)-2-amino-4-(methyldisulfanyl)butanoic acid;
S-methylsulfanyl-homocystein
ChEMBL
DrugBank
ZINC
PDB chain4if7 Chain A Residue 403 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4if7 Selective targeting of the conserved active site cysteine of Mycobacterium tuberculosis methionine aminopeptidase with electrophilic reagents
Resolution2.0 Å
Binding residue
(original residue number in PDB)		Y97 F100 H114 D131 D142 F211 H212 E238 E269
Binding residue
(residue number reindexed from 1)		Y94 F97 H111 D128 D139 F208 H209 E235 E266
Annotation score1
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) H111 D128 D139 G201 H202 G205 H209 L212 E235 N239 E266
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:4if7, PDBe:4if7, PDBj:4if7
PDBsum4if7
PubMed24841365
UniProtP9WK19|MAP12_MYCTU Methionine aminopeptidase 2 (Gene Name=map)

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