Structure of PDB 1f1r Chain B Binding Site BS01

Receptor Information
>1f1r Chain B (length=321) Species: 1665 (Arthrobacter globiformis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NFVPTPSVPAPDIVRCAYMEIVVTDLAKSREFYVDVLGLHVTEEDENTIY
LRSLEEFIHHNLVLRQGPIAAVAAFAYRVKSPAEVDAAEAYYKELGCRTE
RRKEGFTKGIGDSVRVEDPLGFPYEFFYETEHVERLTQRYDLYSAGELVR
LDHFNQVTPDVPRGRAYLEDLGFRVSEDIKDSDGVTYAAWMHRKQTVHDT
ALTGGNGPRMHHVAFATHEKHNIIQICDKMGALRISDRIERGPGRHGVSN
AFYLYILDPDGHRIEIYTQDYYTGDPDNPTITWDVHDNQRRDWWGNPVVP
SWYTEASLVLDLDGNPQPVIV
Ligand information
Ligand IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain1f1r Chain B 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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PDB1f1r Crystallographic comparison of manganese- and iron-dependent homoprotocatechuate 2,3-dioxygenases.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		H155 H214 E267
Binding residue
(residue number reindexed from 1)		H153 H212 E265
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H155 H200 H214 H248 Y257 E267
Catalytic site (residue number reindexed from 1) H153 H198 H212 H246 Y255 E265
Enzyme Commision number 1.13.11.15: 3,4-dihydroxyphenylacetate 2,3-dioxygenase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0008198 ferrous iron binding

View graph for
Molecular Function
External links
PDB RCSB:1f1r, PDBe:1f1r, PDBj:1f1r
PDBsum1f1r
PubMed15028678
UniProtQ44048

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