Structure of PDB 4tuv Chain A Binding Site BS02

Receptor Information
>4tuv Chain A (length=367) Species: 330779 (Sulfolobus acidocaldarius DSM 639) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MYDWFSEMRKKDPVYYDGNIWQVFSYRYTKEVLNNFSKFSSDLTGYHERL
EDLRNGKIRFDIPTRYTMLTSDPPLHDELRSMSADIFSPQKLQTLETFIR
ETTRSLLDSIDPREDDIVKKLAVPLPIIVISKILGLPIEDKEKFKEWSDL
VAFRLGKPGEIFELGKKYLELIGYVKDHLNSGTEVVSRVVNSNLSDIEKL
GYIILLLIAGNETTTNLISNSVIDFTRFNLWQRIREENLYLKAIEEALRY
SPPVMRTVRKTKERVKLGDQTIEEGEYVRVWIASANRDEEVFHDGEKFIP
DRNPNPHLSFGSGIHLCLGAPLARLEARIAIEEFSKRFRHIEILDTEKVP
NEVLNGYKRLVVRLKSN
Ligand information
Ligand IDCPZ
InChIInChI=1S/C9H7ClN2/c10-8-3-1-7(2-4-8)9-5-11-6-12-9/h1-6H,(H,11,12)
InChIKeyDVKIFCXVRCGAEE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04Clc2ccc(c1cncn1)cc2
CACTVS 3.341Clc1ccc(cc1)c2[nH]cnc2
OpenEye OEToolkits 1.5.0c1cc(ccc1c2cnc[nH]2)Cl
FormulaC9 H7 Cl N2
Name4-(4-CHLOROPHENYL)IMIDAZOLE
ChEMBLCHEMBL1231913
DrugBankDB02974
ZINCZINC000005974211
PDB chain4tuv Chain A Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4tuv NMR and X-ray Analysis of CYP119 Ligand Dependent Conformational Changes.
Resolution2.501 Å
Binding residue
(original residue number in PDB)		V151 A209 T213 V353
Binding residue
(residue number reindexed from 1)		V151 A209 T213 V353
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) F153 A209 E212 T213 T214 C317 L318 G319 E326 L354
Catalytic site (residue number reindexed from 1) F153 A209 E212 T213 T214 C317 L318 G319 E326 L354
Enzyme Commision number 1.11.1.7: peroxidase.
1.14.-.-
Gene Ontology
Molecular Function
GO:0004497 monooxygenase activity
GO:0004601 peroxidase activity
GO:0005506 iron ion binding
GO:0016705 oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
GO:0020037 heme binding
GO:0046872 metal ion binding
GO:0140825 lactoperoxidase activity
Biological Process
GO:0098869 cellular oxidant detoxification
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4tuv, PDBe:4tuv, PDBj:4tuv
PDBsum4tuv
PubMed
UniProtQ55080|CP119_SULAC Cytochrome P450 119 (Gene Name=cyp119)

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