Structure of PDB 4ilt Chain D Binding Site BS01

Receptor Information
>4ilt Chain D (length=154) Species: 862751 (Streptomyces sp. SirexAA-E) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SDPTPDQMEGPYFKPDSPPRTSLVTSSTPGVPLTVSGYVFGRACKPLTGV
LLDFWQADTGGAYDMTGFAFRGHQFTGADGSFTLRTIVPGLYPGRTRHIH
VKAQAPGRPVLTTQLYFPGEPRNTTDALFDPALLMNVRSAGPGREGTFDF
VLDV
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 chain4ilt Chain D Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4ilt Fusion of Dioxygenase and Lignin-binding Domains in a Novel Secreted Enzyme from Cellulolytic Streptomyces sp. SirexAA-E.
Resolution2.55 Å
Binding residue
(original residue number in PDB)		Y138 H173 H175
Binding residue
(residue number reindexed from 1)		Y63 H98 H100
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) Y138 R160 G169 R172 I174
Catalytic site (residue number reindexed from 1) Y63 R85 G94 R97 I99
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0005506 iron ion binding
GO:0008199 ferric iron binding
GO:0016702 oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen

View graph for
Molecular Function
External links
PDB RCSB:4ilt, PDBe:4ilt, PDBj:4ilt
PDBsum4ilt
PubMed23653358
UniProtG2NEL6

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