Structure of PDB 4i8v Chain D

Receptor sequence
>4i8vD (length=467) Species: 9606 (Homo sapiens) [Search protein sequence]
LKNPPGPWGWPLIGHMLTLGKNPHLALSRMSQQYGDVLQIRIGSTPVVVL
SGLDTIRQALVRQGDDFKGRPDLYTFTLISNGQSMSFSPDSGPVWAARRR
LAQNGLKSFSIASDPASSTSCYLEEHVSKEAEVLISTLQELMAGPGHFNP
YRYVVVSVTNVICAICFGRRYDHNHQELLSLVNLNNNFGEVVGSGNPADF
IPILRYLPNPSLNAFKDLNEKFYSFMQKMVKEHYKTFEKGHIRDITDSLI
EHCQEQLSDEKIINIVLDLFGAGFDTVTTAISWSLMYLVMNPRVQRKIQE
ELDTVIGRSRRPRLSDRSHLPYMEAFILETFRHSSFVPFTIPHSTTRDTS
LKGFYIPKGRCVFVNQWQINHDQKLWVNPSEFLPERFLTPDGAIDKVLSE
KVIIFGMGKRKCIGETIARWEVFLFLAILLQRVEFSVPLGVKVDMTPIYG
LTMKHACCEHFQMQLRS
3D structure
PDB4i8v Human Cytochrome P450 1A1 Structure and Utility in Understanding Drug and Xenobiotic Metabolism.
ChainD
Resolution2.6 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) T321 F450 C457
Catalytic site (residue number reindexed from 1) T276 F405 C412
Enzyme Commision number 1.14.14.1: unspecific monooxygenase.
4.2.1.152: hydroperoxy icosatetraenoate dehydratase.
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 D R106 S122 A317 T321 T385 I386 H388 I449 F450 R455 C457 G459 R70 S86 A272 T276 T340 I341 H343 I404 F405 R410 C412 G414
BS02 BHF D S116 F224 L312 G316 A317 D320 L496 S80 F188 L267 G271 A272 D275 L451 BindingDB: IC50=>10000nM,Ki=45nM,EC50=3200nM
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004497 monooxygenase activity
GO:0005506 iron ion binding
GO:0005515 protein binding
GO:0008391 arachidonate monooxygenase activity
GO:0008395 steroid hydroxylase activity
GO:0016491 oxidoreductase activity
GO:0016679 oxidoreductase activity, acting on diphenols and related substances as donors
GO:0016705 oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
GO:0016711 flavonoid 3'-monooxygenase activity
GO:0016712 oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, reduced flavin or flavoprotein as one donor, and incorporation of one atom of oxygen
GO:0016829 lyase activity
GO:0019825 oxygen binding
GO:0019899 enzyme binding
GO:0020037 heme binding
GO:0030544 Hsp70 protein binding
GO:0032451 demethylase activity
GO:0046872 metal ion binding
GO:0051879 Hsp90 protein binding
GO:0070330 aromatase activity
GO:0070576 vitamin D 24-hydroxylase activity
GO:0101020 estrogen 16-alpha-hydroxylase activity
GO:0101021 estrogen 2-hydroxylase activity
GO:0102033 long-chain fatty acid omega-hydroxylase activity
GO:0106256 hydroperoxy icosatetraenoate dehydratase activity
GO:0120319 long-chain fatty acid omega-1 hydroxylase activity
Biological Process
GO:0001666 response to hypoxia
GO:0001676 long-chain fatty acid metabolic process
GO:0001889 liver development
GO:0002933 lipid hydroxylation
GO:0006631 fatty acid metabolic process
GO:0006694 steroid biosynthetic process
GO:0006778 porphyrin-containing compound metabolic process
GO:0006805 xenobiotic metabolic process
GO:0008202 steroid metabolic process
GO:0008210 estrogen metabolic process
GO:0009308 amine metabolic process
GO:0009404 toxin metabolic process
GO:0009410 response to xenobiotic stimulus
GO:0009624 response to nematode
GO:0009635 response to herbicide
GO:0009636 response to toxic substance
GO:0009692 ethylene metabolic process
GO:0009804 coumarin metabolic process
GO:0009812 flavonoid metabolic process
GO:0010041 response to iron(III) ion
GO:0017143 insecticide metabolic process
GO:0018894 dibenzo-p-dioxin metabolic process
GO:0018958 phenol-containing compound metabolic process
GO:0019341 dibenzo-p-dioxin catabolic process
GO:0019373 epoxygenase P450 pathway
GO:0032094 response to food
GO:0032496 response to lipopolysaccharide
GO:0033189 response to vitamin A
GO:0033595 response to genistein
GO:0035902 response to immobilization stress
GO:0042359 vitamin D metabolic process
GO:0042445 hormone metabolic process
GO:0042572 retinol metabolic process
GO:0042759 long-chain fatty acid biosynthetic process
GO:0042904 9-cis-retinoic acid biosynthetic process
GO:0043010 camera-type eye development
GO:0046209 nitric oxide metabolic process
GO:0046685 response to arsenic-containing substance
GO:0048565 digestive tract development
GO:0048771 tissue remodeling
GO:0050665 hydrogen peroxide biosynthetic process
GO:0055093 response to hyperoxia
GO:0060137 maternal process involved in parturition
GO:0070365 hepatocyte differentiation
GO:0071280 cellular response to copper ion
GO:0071407 cellular response to organic cyclic compound
GO:0097267 omega-hydroxylase P450 pathway
GO:1900087 positive regulation of G1/S transition of mitotic cell cycle
GO:1901497 response to diphenyl ether
GO:1904010 response to Aroclor 1254
GO:1904612 response to 2,3,7,8-tetrachlorodibenzodioxine
GO:1904681 response to 3-methylcholanthrene
Cellular Component
GO:0005737 cytoplasm
GO:0005739 mitochondrion
GO:0005743 mitochondrial inner membrane
GO:0005783 endoplasmic reticulum
GO:0005789 endoplasmic reticulum membrane
GO:0043231 intracellular membrane-bounded organelle

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4i8v, PDBe:4i8v, PDBj:4i8v
PDBsum4i8v
PubMed23508959
UniProtP04798|CP1A1_HUMAN Cytochrome P450 1A1 (Gene Name=CYP1A1)

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