Structure of PDB 3mdt Chain A

Receptor sequence
>3mdtA (length=424) Species: 9606 (Homo sapiens) [Search protein sequence]
VLQDVFLDWAKKYGPVVRVNVFHKTSVIVTSPESVKKFLMSTKYNKDSKM
YRALQTVFGERLFGQGLVSECNYERWHKQRRVIDLAFSRSSLVSLMETFN
EKAEQLVEILEAKADGQTPVSMQDMLTYTAMDILAKAAFGMETSMLLGAQ
KPLSQAVKLMLEGITASRNTKRKQLREVRESIRFLRQVGRDWVQRRREAL
KRGEEVPADILTQILKAEEGAQDDEGLLDNFVTFFIAGHETSANHLAFTV
MELSRQPEIVARLQAEVDEVIGSKRYLDFEDLGRLQYLSQVLKESLRLYP
PAWGTFRLLEEETLIDGVRVPGNTPLLFSTYVMGRMDTYFEDPLTFNPDR
FGPGAPKPRFTYFPFSLGHRSCIGQQFAQMEVKVVMAKLLQRLEFRLVPG
QRFGLQEQATLKPLDPVLCTLRPR
3D structure
PDB3mdt Structural basis of drug binding to CYP46A1, an enzyme that controls cholesterol turnover in the brain.
ChainA
Resolution2.3 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) T306 F430 C437
Catalytic site (residue number reindexed from 1) T241 F365 C372
Enzyme Commision number 1.14.14.25: cholesterol 24-hydroxylase.
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 HEM A K104 Y109 L125 V126 W134 R138 F145 F299 A302 G303 T306 A367 T370 P429 F430 S431 R435 C437 A443 K46 Y51 L67 V68 W76 R80 F87 F234 A237 G238 T241 A302 T305 P364 F365 S366 R370 C372 A378
BS02 VOR A L112 F121 V126 A302 T306 L54 F63 V68 A237 T241 MOAD: Kd=5nM
Gene Ontology
Molecular Function
GO:0004497 monooxygenase activity
GO:0005506 iron ion binding
GO:0008395 steroid hydroxylase activity
GO:0016705 oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
GO:0020037 heme binding
GO:0033781 cholesterol 24-hydroxylase activity
GO:0046872 metal ion binding
GO:0062184 testosterone 16-beta-hydroxylase activity
Biological Process
GO:0006699 bile acid biosynthetic process
GO:0006707 cholesterol catabolic process
GO:0006805 xenobiotic metabolic process
GO:0007399 nervous system development
GO:0008203 cholesterol metabolic process
GO:0008207 C21-steroid hormone metabolic process
GO:0016125 sterol metabolic process
GO:0042448 progesterone metabolic process
GO:1900271 regulation of long-term synaptic potentiation
GO:1903044 protein localization to membrane raft
Cellular Component
GO:0005783 endoplasmic reticulum
GO:0005789 endoplasmic reticulum membrane
GO:0016020 membrane
GO:0030425 dendrite
GO:0042995 cell projection
GO:0045202 synapse
GO:0098793 presynapse
GO:0098794 postsynapse

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3mdt, PDBe:3mdt, PDBj:3mdt
PDBsum3mdt
PubMed20667828
UniProtQ9Y6A2|CP46A_HUMAN Cholesterol 24-hydroxylase (Gene Name=CYP46A1)

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