Structure of PDB 1c22 Chain A Binding Site BS03

Receptor Information
>1c22 Chain A (length=262) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AISIKTPEDIEKMRVAGRLAAEVLEMIEPYVKPGVSTGELDRICNDYIVN
EQHAVSACLGYHGYPKSVCISINEVVCHGIPDDAKLLKDGDIVNIDVTVI
KDGFHGDTSKMFIVGKPTIMGERLCRITQESLYLALRMVKPGINLREIGA
AIQKFVEAEGFSVVREYCGHGIGQGFHEEPQVLHYDSRETNVVLKPGMTF
TIEPMVNAGKKEIRTMKDGWTVKTKDRSLSAQYEHTIVVTDNGCEILTLR
KDDTIPAIISHD
Ligand information
Ligand IDMF3
InChIInChI=1S/C5H8F3NO2S/c6-5(7,8)12-2-1-3(9)4(10)11/h3H,1-2,9H2,(H,10,11)/t3-/m0/s1
InChIKeyYLJLTSVBCXYTQK-VKHMYHEASA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(CSC(F)(F)F)[C@@H](C(=O)O)N
OpenEye OEToolkits 1.5.0C(CSC(F)(F)F)C(C(=O)O)N
ACDLabs 10.04FC(F)(F)SCCC(N)C(=O)O
CACTVS 3.341N[CH](CCSC(F)(F)F)C(O)=O
CACTVS 3.341N[C@@H](CCSC(F)(F)F)C(O)=O
FormulaC5 H8 F3 N O2 S
Name2-AMINO-4-TRIFLUOROMETHYLSULFANYL-BUTYRIC ACID;
TRIFLUOROMETHIONINE
ChEMBL
DrugBankDB03799
ZINCZINC000001698833
PDB chain1c22 Chain A Residue 300 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1c22 Insights into the mechanism of Escherichia coli methionine aminopeptidase from the structural analysis of reaction products and phosphorus-based transition-state analogues.
Resolution1.75 Å
Binding residue
(original residue number in PDB)		Y65 C70 H79 D97 D108 F177 H178 E204 E235
Binding residue
(residue number reindexed from 1)		Y64 C69 H78 D96 D107 F176 H177 E203 E234
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H79 D97 D108 H171 Q175 H178 Q182 E204 N208 Q233 E235
Catalytic site (residue number reindexed from 1) H78 D96 D107 H170 Q174 H177 Q181 E203 N207 Q232 E234
Enzyme Commision number 3.4.11.18: methionyl aminopeptidase.
Gene Ontology
Molecular Function
GO:0004177 aminopeptidase activity
GO:0004239 initiator methionyl aminopeptidase activity
GO:0008198 ferrous iron binding
GO:0008235 metalloexopeptidase activity
GO:0046872 metal ion binding
GO:0046914 transition metal ion binding
GO:0070006 metalloaminopeptidase activity
Biological Process
GO:0006508 proteolysis
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:1c22, PDBe:1c22, PDBj:1c22
PDBsum1c22
PubMed10555963
UniProtP0AE18|MAP1_ECOLI Methionine aminopeptidase (Gene Name=map)

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