Structure of PDB 1f1x Chain D Binding Site BS01

Receptor Information
>1f1x Chain D (length=319) Species: 47914 (Brevibacterium fuscum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EIPKPVAPAPDILRCAYAELVVTDLAKSRNFYVDVLGLHVSYEDENQIYL
RSFEEFIHHNLVLTKGPVAALKAMAFRVRTPEDVDKAEAYYQELGCRTER
RKDGFVKGIGDALRVEDPLGFPYEFFFETTHVERLHMRYDLYSAGELVRL
DHFNQVTPDVPRGRKYLEDLGFRVTEDIQDDEGTTYAAWMHRKGTVHDTA
LTGGNGPRLHHVAFSTHEKHNIIQICDKMGALRISDRIERGPGRHGVSNA
FYLYILDPDNHRIEIYTQDYYTGDPDNPTITWNVHDNQRRDWWGNPVVPS
WYTEASKVLDLDGNVQEII
Ligand information
Ligand IDFEL
InChIInChI=1S/Fe.3H2O/h;3*1H2/q+3;;;
InChIKeyMSNWSDPPULHLDL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385O.O.O.[Fe+3]
OpenEye OEToolkits 2.0.7[OH2][Fe+3]([OH2])[OH2]
FormulaFe H6 O3
NameHYDRATED FE
ChEMBL
DrugBank
ZINC
PDB chain1f1x Chain D Residue 500 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB1f1x Crystallographic comparison of manganese- and iron-dependent homoprotocatechuate 2,3-dioxygenases.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		H155 H200 H214 Y257 E267
Binding residue
(residue number reindexed from 1)		H152 H197 H211 Y254 E264
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H155 H200 H214 H248 Y257 E267
Catalytic site (residue number reindexed from 1) H152 H197 H211 H245 Y254 E264
Enzyme Commision number 1.13.11.15: 3,4-dihydroxyphenylacetate 2,3-dioxygenase.
External links