Structure of PDB 2ivf Chain B Binding Site BS01

Receptor Information
>2ivf Chain B (length=337) Species: 76114 (Aromatoleum aromaticum EbN1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KRQLVTVIDLNKCLGCQTCTVACKNIWTKRPGTEHMRWNNVTTYPGKGYP
RDYERKGGGFLRGEPQPGVLPTLIDSGDDFQFNHKEVFYEGKGQTVHFHP
TSKSTGKDPAWGYNWDEDQGGGKWPNPFFFYLARMCNHCTNPACLAACPT
GAIYKREDNGIVLVDQERCKGHRHCVEACPYKAIYFNPVSQTSEKCILCY
PRIEKGIANACNRQCPGRVRAFGYLDDTTSHVHKLVKKWKVALPLHAEYG
TGPNIYYVPPMGARGFGEDGEITDKTRIPLDVLEGLFGPEVKRVLAVLHT
ERENMRAGRGSELMDLLISKKWSDRFGGFTNDPLTQS
Ligand information
Ligand IDF3S
InChIInChI=1S/3Fe.4S
InChIKeyFCXHZBQOKRZXKS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385S1[Fe]S[Fe]2S[Fe]1S2
OpenEye OEToolkits 2.0.7S1[Fe]2S[Fe]3[S]2[Fe]1S3
FormulaFe3 S4
NameFE3-S4 CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain2ivf Chain B Residue 1356 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2ivf Crystal Structure of Ethylbenzene Dehydrogenase from Aromatoleum Aromaticum
Resolution1.88 Å
Binding residue
(original residue number in PDB)		C163 T165 I168 C184 K185 G186 H187 R188 H189 C190 S208
Binding residue
(residue number reindexed from 1)		C148 T150 I153 C169 K170 G171 H172 R173 H174 C175 S193
Annotation score1
Enzymatic activity
Enzyme Commision number 1.17.99.2: ethylbenzene hydroxylase.
Gene Ontology
Molecular Function
GO:0009055 electron transfer activity
GO:0046872 metal ion binding
GO:0051536 iron-sulfur cluster binding
GO:0051538 3 iron, 4 sulfur cluster binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0009061 anaerobic respiration
Cellular Component
GO:0016020 membrane
GO:0042597 periplasmic space

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2ivf, PDBe:2ivf, PDBj:2ivf
PDBsum2ivf
PubMed16962969
UniProtQ5P5I1

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