Structure of PDB 4f0l Chain A Binding Site BS01

Receptor Information
>4f0l Chain A (length=448) Species: 359391 (Brucella abortus 2308) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QHFIHARQALLPDGWAENVRIGIAGGVICSIETGVLAGPDDERQSVVVAG
MANLHSHAFQYGMAGLAERRGPSADSFWSWREIMYKFALTMTPEQAEAVA
LRLYVDMLEAGFTRVGEFHYLHHDCDGTPYANLSEMADRIAAAATTAGMG
LTLLPVFYAHSGFGGAAANEGQRRFINDPERFARLIEGCRKTLEGFEGAV
LGVAPHSLRAVTPDELDSVTQLLPDAPVHIHVAEQVKEVEDCIAWSGKRP
VEWLLDHQDVTARWCLIHATHMSDEETKHMAKAGAIAGLCPVTEANLGDG
TFNATEFAAAGGKFGIGSDSNVLIGIGDELRQLEYSQRLYHRARNVLAAN
EGSTGRALFDGAVLGGNIAMGRPEDGLKKGASADFVSLDVERLPHAKGDV
VLDGWIFAGRAHVCDVWVRGVKQVEGGRHRLRDEAERAFQKALGELLA
Ligand information
Ligand IDFE
InChIInChI=1S/Fe/q+3
InChIKeyVTLYFUHAOXGGBS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0
[Fe+3]
FormulaFe
NameFE (III) ION
ChEMBL
DrugBankDB13949
ZINC
PDB chain4f0l Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4f0l Crystal structure of Amidohydrolase from Brucella melitensis
Resolution2.05 Å
Binding residue
(original residue number in PDB)
H61 H63 H237 D325
Binding residue
(residue number reindexed from 1)
H55 H57 H231 D319
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0016810 hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds
GO:0019239 deaminase activity
GO:0046872 metal ion binding
Cellular Component
GO:0005829 cytosol

View graph for
Molecular Function

View graph for
Cellular Component
External links
PDB RCSB:4f0l, PDBe:4f0l, PDBj:4f0l
PDBsum4f0l
PubMed
UniProtQ2YIL4

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