Structure of PDB 2evm Chain A Binding Site BS03

Receptor Information
>2evm Chain A (length=259) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SIKTPEDIEKMRVAGRLAAEVLEMIEPYVKPGVSTGELDRICNDYIVNEQ
HAVSACLGYHGYPKSVCISINEVVCHGIPDDAKLLKDGDIVNIDVTVIKD
GFHGDTSKMFIVGKPTIMGERLCRITQESLYLALRMVKPGINLREIGAAI
QKFVEAEGFSVVREYCGHGIGRGFHEEPQVLHYDSRETNVVLKPGMTFTI
EPMVNAGKKEIRTMKDGWTVKTKDRSLSAQYEHTIVVTDNGCEILTLRKD
DTIPAIISH
Ligand information
Ligand IDFC2
InChIInChI=1S/C11H6Cl2O3/c12-6-1-2-8(13)7(5-6)9-3-4-10(16-9)11(14)15/h1-5H,(H,14,15)
InChIKeyATAZLMGGQQLRBC-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(c(cc1Cl)c2ccc(o2)C(=O)O)Cl
CACTVS 3.341OC(=O)c1oc(cc1)c2cc(Cl)ccc2Cl
ACDLabs 10.04O=C(O)c2oc(c1c(Cl)ccc(Cl)c1)cc2
FormulaC11 H6 Cl2 O3
Name5-(2,5-DICHLOROPHENYL)-2-FUROIC ACID
ChEMBLCHEMBL370437
DrugBankDB07758
ZINCZINC000000156746
PDB chain2evm Chain A Residue 999 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2evm Structural analysis of metalloform-selective inhibition of methionine aminopeptidase.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		Y62 H63 Y65 C70 H79 D97 D108 H171 H178 E204 W221 E235
Binding residue
(residue number reindexed from 1)		Y59 H60 Y62 C67 H76 D94 D105 H168 H175 E201 W218 E232
Annotation score1
Binding affinityMOAD: ic50=0.693uM
PDBbind-CN: -logKd/Ki=6.16,IC50=0.693uM
BindingDB: IC50=84000nM
Enzymatic activity
Catalytic site (original residue number in PDB) H79 D97 D108 H171 R175 H178 Q182 E204 N208 Q233 E235
Catalytic site (residue number reindexed from 1) H76 D94 D105 H168 R172 H175 Q179 E201 N205 Q230 E232
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:2evm, PDBe:2evm, PDBj:2evm
PDBsum2evm
PubMed16552144
UniProtP0AE18|MAP1_ECOLI Methionine aminopeptidase (Gene Name=map)

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