Structure of PDB 2xr8 Chain I Binding Site BS01
Receptor Information
>2xr8 Chain I (length=433) Species:
266265
(Paraburkholderia xenovorans LB400) [
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NWTPEAIRGLVDQEKGLLDPRIYADQSLYELELERVFGRSWLLLGHESHV
PETGDFLATYMGEDPVVMVRQKDKSIKVFLNQCRHRGMRICRSDAGNAKA
FTCSYHGWAYDIAGKLVNVPFEKEAFFDKAEWGPLQARVATYKGLVFANW
DVQAPDLETYLGDARPYMDVMLDRTPAGTVAIGGMQKWVIPCNWKFAAEQ
FCSDMYHAGTTTHLSGILAGIPPEMDLSQAQIPTKGNQFRAAWGGHGSGW
YVDEPGSLLAVMGPKVTQYWTEGPAAELAEQRLGHTGMPVRRMVGQHMTI
FPTCSFLPTFNNIRIWHPRGPNEIEVWAFTLVDADAPAEIKEEYRRHNIR
NFSAGGVFEQDDGENWVEIQKGLRGYKAKSQPLNAQMGLGRSQTGHPDFP
GNVGYVYAEEAARGMYHHWMRMMSEPSWATLKP
Ligand information
Ligand ID
FES
InChI
InChI=1S/2Fe.2S
InChIKey
NIXDOXVAJZFRNF-UHFFFAOYSA-N
SMILES
Software
SMILES
ACDLabs 10.04
[Fe]1S[Fe]S1
CACTVS 3.341
OpenEye OEToolkits 1.5.0
S1[Fe]S[Fe]1
Formula
Fe2 S2
Name
FE2/S2 (INORGANIC) CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain
2xr8 Chain I Residue 900 [
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Receptor-Ligand Complex Structure
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PDB
2xr8
Structural Insight Into the Expanded Pcb-Degrading Abilities of a Biphenyl Dioxygenase Obtained by Directed Evolution.
Resolution
2.49 Å
Binding residue
(original residue number in PDB)
C100 H102 R103 M105 C120 Y122 H123 W125
Binding residue
(residue number reindexed from 1)
C83 H85 R86 M88 C103 Y105 H106 W108
Annotation score
1
Enzymatic activity
Catalytic site (original residue number in PDB)
H123 D230 H233 H239 D388
Catalytic site (residue number reindexed from 1)
H106 D204 H207 H213 D362
Enzyme Commision number
1.14.12.18
: biphenyl 2,3-dioxygenase.
Gene Ontology
Molecular Function
GO:0005506
iron ion binding
GO:0018687
biphenyl 2,3-dioxygenase activity
GO:0046872
metal ion binding
GO:0051213
dioxygenase activity
GO:0051537
2 iron, 2 sulfur cluster binding
Biological Process
GO:0009056
catabolic process
GO:0044237
cellular metabolic process
View graph for
Molecular Function
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Biological Process
External links
PDB
RCSB:2xr8
,
PDBe:2xr8
,
PDBj:2xr8
PDBsum
2xr8
PubMed
21073881
UniProt
P37333
|BPHA_PARXL Biphenyl dioxygenase subunit alpha (Gene Name=bphA)
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