Structure of PDB 1bfr Chain V Binding Site BS03
Receptor Information
>1bfr Chain V (length=158) Species:
562
(Escherichia coli) [
Search protein sequence
] [
Download receptor structure
] [
Download structure with residue number starting from 1
] [
View receptor structure
]
MKGDTKVINYLNKLLGNELVAINQYFLHARMFKNWGLKRLNDVEYHESID
EMKHADRYIERILFLEGLPNLQDLGKLNIGEDVEEMLRSDLALELDGAKN
LREAIGYADSVHDYVSRDMMIEILRDEEGHIDWLETELDLIQKMGLQNYL
QAQIREEG
Ligand information
Ligand ID
HEM
InChI
InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;
InChIKey
KABFMIBPWCXCRK-RGGAHWMASA-L
SMILES
Software
SMILES
OpenEye OEToolkits 1.7.6
Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O
CACTVS 3.385
CC1=C(CCC(O)=O)C2=Cc3n4[Fe]5|6|N2=C1C=c7n5c(=CC8=N|6C(=Cc4c(C)c3CCC(O)=O)C(=C8C=C)C)c(C)c7C=C
ACDLabs 12.01
C=1c3c(c(c4C=C5C(=C(C=6C=C7C(=C(C8=CC=2C(=C(C=1N=2[Fe](n34)(N5=6)N78)CCC(=O)O)C)\C=C)C)\C=C)C)C)CCC(=O)O
Formula
C34 H32 Fe N4 O4
Name
PROTOPORPHYRIN IX CONTAINING FE;
HEME
ChEMBL
DrugBank
DB18267
ZINC
PDB chain
1bfr Chain V Residue 200 [
Download ligand structure
] [
Download structure with residue number starting from 1
] [
View ligand structure
]
Receptor-Ligand Complex Structure
Global view
Local view
Structure summary
[
Spin on
] [
Spin off
] [
Reset
]
[
High quality
] [
Low quality
]
[
White background
] [
Black background
]
[
Spin on
] [
Spin off
] [
Reset
]
[
High quality
] [
Low quality
]
[
White background
] [
Black background
]
PDB
1bfr
Structure of a monoclinic crystal from of cyctochrome b1 (Bacterioferritin) from E. coli.
Resolution
2.94 Å
Binding residue
(original residue number in PDB)
I22 F26 I49 M52
Binding residue
(residue number reindexed from 1)
I22 F26 I49 M52
Annotation score
1
Enzymatic activity
Enzyme Commision number
1.16.3.1
: ferroxidase.
Gene Ontology
Molecular Function
GO:0004322
ferroxidase activity
GO:0005506
iron ion binding
GO:0005515
protein binding
GO:0008199
ferric iron binding
GO:0015093
ferrous iron transmembrane transporter activity
GO:0016491
oxidoreductase activity
GO:0020037
heme binding
GO:0042802
identical protein binding
GO:0042803
protein homodimerization activity
GO:0046872
metal ion binding
GO:0140315
iron ion sequestering activity
Biological Process
GO:0006826
iron ion transport
GO:0006879
intracellular iron ion homeostasis
GO:0006880
intracellular sequestering of iron ion
GO:0034755
iron ion transmembrane transport
Cellular Component
GO:0005829
cytosol
GO:0016020
membrane
View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB
RCSB:1bfr
,
PDBe:1bfr
,
PDBj:1bfr
PDBsum
1bfr
PubMed
9867433
UniProt
P0ABD3
|BFR_ECOLI Bacterioferritin (Gene Name=bfr)
[
Back to BioLiP
]