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6DWN

Structure of Human Cytochrome P450 1A1 with Erlotinib

Functional Information from GO Data
ChainGOidnamespacecontents
A0001666biological_processresponse to hypoxia
A0001676biological_processlong-chain fatty acid metabolic process
A0001889biological_processliver development
A0002933biological_processlipid hydroxylation
A0003824molecular_functioncatalytic activity
A0004497molecular_functionmonooxygenase activity
A0005506molecular_functioniron ion binding
A0005515molecular_functionprotein binding
A0005737cellular_componentcytoplasm
A0005739cellular_componentmitochondrion
A0005743cellular_componentmitochondrial inner membrane
A0005783cellular_componentendoplasmic reticulum
A0005789cellular_componentendoplasmic reticulum membrane
A0006631biological_processfatty acid metabolic process
A0006694biological_processsteroid biosynthetic process
A0006778biological_processporphyrin-containing compound metabolic process
A0006805biological_processxenobiotic metabolic process
A0008202biological_processsteroid metabolic process
A0008210biological_processestrogen metabolic process
A0008391molecular_functionarachidonic acid monooxygenase activity
A0008395molecular_functionsteroid hydroxylase activity
A0009308biological_processamine metabolic process
A0009404biological_processtoxin metabolic process
A0009410biological_processresponse to xenobiotic stimulus
A0009624biological_processresponse to nematode
A0009635biological_processresponse to herbicide
A0009636biological_processresponse to toxic substance
A0009692biological_processethylene metabolic process
A0009804biological_processcoumarin metabolic process
A0009812biological_processflavonoid metabolic process
A0010033biological_processobsolete response to organic substance
A0010041biological_processresponse to iron(III) ion
A0014070biological_processresponse to organic cyclic compound
A0016491molecular_functionoxidoreductase activity
A0016679molecular_functionoxidoreductase activity, acting on diphenols and related substances as donors
A0016705molecular_functionoxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
A0016711molecular_functionflavonoid 3'-monooxygenase activity
A0016712molecular_functionoxidoreductase 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
A0016829molecular_functionlyase activity
A0017143biological_processinsecticide metabolic process
A0018894biological_processdibenzo-p-dioxin metabolic process
A0019341biological_processdibenzo-p-dioxin catabolic process
A0019373biological_processepoxygenase P450 pathway
A0019825molecular_functionoxygen binding
A0019899molecular_functionenzyme binding
A0020037molecular_functionheme binding
A0030544molecular_functionHsp70 protein binding
A0032094biological_processresponse to food
A0032451molecular_functiondemethylase activity
A0032496biological_processresponse to lipopolysaccharide
A0033189biological_processresponse to vitamin A
A0035902biological_processresponse to immobilization stress
A0042359biological_processvitamin D metabolic process
A0042445biological_processhormone metabolic process
A0042572biological_processretinol metabolic process
A0042759biological_processlong-chain fatty acid biosynthetic process
A0042904biological_process9-cis-retinoic acid biosynthetic process
A0043010biological_processcamera-type eye development
A0043231cellular_componentintracellular membrane-bounded organelle
A0046209biological_processnitric oxide metabolic process
A0046483biological_processobsolete heterocycle metabolic process
A0046685biological_processresponse to arsenic-containing substance
A0046872molecular_functionmetal ion binding
A0048565biological_processdigestive tract development
A0048771biological_processtissue remodeling
A0050665biological_processhydrogen peroxide biosynthetic process
A0051879molecular_functionHsp90 protein binding
A0055093biological_processresponse to hyperoxia
A0060137biological_processmaternal process involved in parturition
A0070330molecular_functionaromatase activity
A0070365biological_processhepatocyte differentiation
A0070576molecular_functionvitamin D 24-hydroxylase activity
A0071280biological_processcellular response to copper ion
A0071407biological_processcellular response to organic cyclic compound
A0097267biological_processomega-hydroxylase P450 pathway
A0101020molecular_functionestrogen 16-alpha-hydroxylase activity
A0101021molecular_functionestrogen 2-hydroxylase activity
A0102033molecular_functionlong-chain fatty acid omega-hydroxylase activity
A0106256molecular_functionhydroperoxy icosatetraenoate dehydratase activity
A0120319molecular_functionlong-chain fatty acid omega-1 hydroxylase activity
A1900087biological_processpositive regulation of G1/S transition of mitotic cell cycle
A1904681biological_processresponse to 3-methylcholanthrene
B0001666biological_processresponse to hypoxia
B0001676biological_processlong-chain fatty acid metabolic process
B0001889biological_processliver development
B0002933biological_processlipid hydroxylation
B0003824molecular_functioncatalytic activity
B0004497molecular_functionmonooxygenase activity
B0005506molecular_functioniron ion binding
B0005515molecular_functionprotein binding
B0005737cellular_componentcytoplasm
B0005739cellular_componentmitochondrion
B0005743cellular_componentmitochondrial inner membrane
B0005783cellular_componentendoplasmic reticulum
B0005789cellular_componentendoplasmic reticulum membrane
B0006631biological_processfatty acid metabolic process
B0006694biological_processsteroid biosynthetic process
B0006778biological_processporphyrin-containing compound metabolic process
B0006805biological_processxenobiotic metabolic process
B0008202biological_processsteroid metabolic process
B0008210biological_processestrogen metabolic process
B0008391molecular_functionarachidonic acid monooxygenase activity
B0008395molecular_functionsteroid hydroxylase activity
B0009308biological_processamine metabolic process
B0009404biological_processtoxin metabolic process
B0009410biological_processresponse to xenobiotic stimulus
B0009624biological_processresponse to nematode
B0009635biological_processresponse to herbicide
B0009636biological_processresponse to toxic substance
B0009692biological_processethylene metabolic process
B0009804biological_processcoumarin metabolic process
B0009812biological_processflavonoid metabolic process
B0010033biological_processobsolete response to organic substance
B0010041biological_processresponse to iron(III) ion
B0014070biological_processresponse to organic cyclic compound
B0016491molecular_functionoxidoreductase activity
B0016679molecular_functionoxidoreductase activity, acting on diphenols and related substances as donors
B0016705molecular_functionoxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
B0016711molecular_functionflavonoid 3'-monooxygenase activity
B0016712molecular_functionoxidoreductase 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
B0016829molecular_functionlyase activity
B0017143biological_processinsecticide metabolic process
B0018894biological_processdibenzo-p-dioxin metabolic process
B0019341biological_processdibenzo-p-dioxin catabolic process
B0019373biological_processepoxygenase P450 pathway
B0019825molecular_functionoxygen binding
B0019899molecular_functionenzyme binding
B0020037molecular_functionheme binding
B0030544molecular_functionHsp70 protein binding
B0032094biological_processresponse to food
B0032451molecular_functiondemethylase activity
B0032496biological_processresponse to lipopolysaccharide
B0033189biological_processresponse to vitamin A
B0035902biological_processresponse to immobilization stress
B0042359biological_processvitamin D metabolic process
B0042445biological_processhormone metabolic process
B0042572biological_processretinol metabolic process
B0042759biological_processlong-chain fatty acid biosynthetic process
B0042904biological_process9-cis-retinoic acid biosynthetic process
B0043010biological_processcamera-type eye development
B0043231cellular_componentintracellular membrane-bounded organelle
B0046209biological_processnitric oxide metabolic process
B0046483biological_processobsolete heterocycle metabolic process
B0046685biological_processresponse to arsenic-containing substance
B0046872molecular_functionmetal ion binding
B0048565biological_processdigestive tract development
B0048771biological_processtissue remodeling
B0050665biological_processhydrogen peroxide biosynthetic process
B0051879molecular_functionHsp90 protein binding
B0055093biological_processresponse to hyperoxia
B0060137biological_processmaternal process involved in parturition
B0070330molecular_functionaromatase activity
B0070365biological_processhepatocyte differentiation
B0070576molecular_functionvitamin D 24-hydroxylase activity
B0071280biological_processcellular response to copper ion
B0071407biological_processcellular response to organic cyclic compound
B0097267biological_processomega-hydroxylase P450 pathway
B0101020molecular_functionestrogen 16-alpha-hydroxylase activity
B0101021molecular_functionestrogen 2-hydroxylase activity
B0102033molecular_functionlong-chain fatty acid omega-hydroxylase activity
B0106256molecular_functionhydroperoxy icosatetraenoate dehydratase activity
B0120319molecular_functionlong-chain fatty acid omega-1 hydroxylase activity
B1900087biological_processpositive regulation of G1/S transition of mitotic cell cycle
B1904681biological_processresponse to 3-methylcholanthrene
C0001666biological_processresponse to hypoxia
C0001676biological_processlong-chain fatty acid metabolic process
C0001889biological_processliver development
C0002933biological_processlipid hydroxylation
C0003824molecular_functioncatalytic activity
C0004497molecular_functionmonooxygenase activity
C0005506molecular_functioniron ion binding
C0005515molecular_functionprotein binding
C0005737cellular_componentcytoplasm
C0005739cellular_componentmitochondrion
C0005743cellular_componentmitochondrial inner membrane
C0005783cellular_componentendoplasmic reticulum
C0005789cellular_componentendoplasmic reticulum membrane
C0006631biological_processfatty acid metabolic process
C0006694biological_processsteroid biosynthetic process
C0006778biological_processporphyrin-containing compound metabolic process
C0006805biological_processxenobiotic metabolic process
C0008202biological_processsteroid metabolic process
C0008210biological_processestrogen metabolic process
C0008391molecular_functionarachidonic acid monooxygenase activity
C0008395molecular_functionsteroid hydroxylase activity
C0009308biological_processamine metabolic process
C0009404biological_processtoxin metabolic process
C0009410biological_processresponse to xenobiotic stimulus
C0009624biological_processresponse to nematode
C0009635biological_processresponse to herbicide
C0009636biological_processresponse to toxic substance
C0009692biological_processethylene metabolic process
C0009804biological_processcoumarin metabolic process
C0009812biological_processflavonoid metabolic process
C0010033biological_processobsolete response to organic substance
C0010041biological_processresponse to iron(III) ion
C0014070biological_processresponse to organic cyclic compound
C0016491molecular_functionoxidoreductase activity
C0016679molecular_functionoxidoreductase activity, acting on diphenols and related substances as donors
C0016705molecular_functionoxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
C0016711molecular_functionflavonoid 3'-monooxygenase activity
C0016712molecular_functionoxidoreductase 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
C0016829molecular_functionlyase activity
C0017143biological_processinsecticide metabolic process
C0018894biological_processdibenzo-p-dioxin metabolic process
C0019341biological_processdibenzo-p-dioxin catabolic process
C0019373biological_processepoxygenase P450 pathway
C0019825molecular_functionoxygen binding
C0019899molecular_functionenzyme binding
C0020037molecular_functionheme binding
C0030544molecular_functionHsp70 protein binding
C0032094biological_processresponse to food
C0032451molecular_functiondemethylase activity
C0032496biological_processresponse to lipopolysaccharide
C0033189biological_processresponse to vitamin A
C0035902biological_processresponse to immobilization stress
C0042359biological_processvitamin D metabolic process
C0042445biological_processhormone metabolic process
C0042572biological_processretinol metabolic process
C0042759biological_processlong-chain fatty acid biosynthetic process
C0042904biological_process9-cis-retinoic acid biosynthetic process
C0043010biological_processcamera-type eye development
C0043231cellular_componentintracellular membrane-bounded organelle
C0046209biological_processnitric oxide metabolic process
C0046483biological_processobsolete heterocycle metabolic process
C0046685biological_processresponse to arsenic-containing substance
C0046872molecular_functionmetal ion binding
C0048565biological_processdigestive tract development
C0048771biological_processtissue remodeling
C0050665biological_processhydrogen peroxide biosynthetic process
C0051879molecular_functionHsp90 protein binding
C0055093biological_processresponse to hyperoxia
C0060137biological_processmaternal process involved in parturition
C0070330molecular_functionaromatase activity
C0070365biological_processhepatocyte differentiation
C0070576molecular_functionvitamin D 24-hydroxylase activity
C0071280biological_processcellular response to copper ion
C0071407biological_processcellular response to organic cyclic compound
C0097267biological_processomega-hydroxylase P450 pathway
C0101020molecular_functionestrogen 16-alpha-hydroxylase activity
C0101021molecular_functionestrogen 2-hydroxylase activity
C0102033molecular_functionlong-chain fatty acid omega-hydroxylase activity
C0106256molecular_functionhydroperoxy icosatetraenoate dehydratase activity
C0120319molecular_functionlong-chain fatty acid omega-1 hydroxylase activity
C1900087biological_processpositive regulation of G1/S transition of mitotic cell cycle
C1904681biological_processresponse to 3-methylcholanthrene
D0001666biological_processresponse to hypoxia
D0001676biological_processlong-chain fatty acid metabolic process
D0001889biological_processliver development
D0002933biological_processlipid hydroxylation
D0003824molecular_functioncatalytic activity
D0004497molecular_functionmonooxygenase activity
D0005506molecular_functioniron ion binding
D0005515molecular_functionprotein binding
D0005737cellular_componentcytoplasm
D0005739cellular_componentmitochondrion
D0005743cellular_componentmitochondrial inner membrane
D0005783cellular_componentendoplasmic reticulum
D0005789cellular_componentendoplasmic reticulum membrane
D0006631biological_processfatty acid metabolic process
D0006694biological_processsteroid biosynthetic process
D0006778biological_processporphyrin-containing compound metabolic process
D0006805biological_processxenobiotic metabolic process
D0008202biological_processsteroid metabolic process
D0008210biological_processestrogen metabolic process
D0008391molecular_functionarachidonic acid monooxygenase activity
D0008395molecular_functionsteroid hydroxylase activity
D0009308biological_processamine metabolic process
D0009404biological_processtoxin metabolic process
D0009410biological_processresponse to xenobiotic stimulus
D0009624biological_processresponse to nematode
D0009635biological_processresponse to herbicide
D0009636biological_processresponse to toxic substance
D0009692biological_processethylene metabolic process
D0009804biological_processcoumarin metabolic process
D0009812biological_processflavonoid metabolic process
D0010033biological_processobsolete response to organic substance
D0010041biological_processresponse to iron(III) ion
D0014070biological_processresponse to organic cyclic compound
D0016491molecular_functionoxidoreductase activity
D0016679molecular_functionoxidoreductase activity, acting on diphenols and related substances as donors
D0016705molecular_functionoxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
D0016711molecular_functionflavonoid 3'-monooxygenase activity
D0016712molecular_functionoxidoreductase 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
D0016829molecular_functionlyase activity
D0017143biological_processinsecticide metabolic process
D0018894biological_processdibenzo-p-dioxin metabolic process
D0019341biological_processdibenzo-p-dioxin catabolic process
D0019373biological_processepoxygenase P450 pathway
D0019825molecular_functionoxygen binding
D0019899molecular_functionenzyme binding
D0020037molecular_functionheme binding
D0030544molecular_functionHsp70 protein binding
D0032094biological_processresponse to food
D0032451molecular_functiondemethylase activity
D0032496biological_processresponse to lipopolysaccharide
D0033189biological_processresponse to vitamin A
D0035902biological_processresponse to immobilization stress
D0042359biological_processvitamin D metabolic process
D0042445biological_processhormone metabolic process
D0042572biological_processretinol metabolic process
D0042759biological_processlong-chain fatty acid biosynthetic process
D0042904biological_process9-cis-retinoic acid biosynthetic process
D0043010biological_processcamera-type eye development
D0043231cellular_componentintracellular membrane-bounded organelle
D0046209biological_processnitric oxide metabolic process
D0046483biological_processobsolete heterocycle metabolic process
D0046685biological_processresponse to arsenic-containing substance
D0046872molecular_functionmetal ion binding
D0048565biological_processdigestive tract development
D0048771biological_processtissue remodeling
D0050665biological_processhydrogen peroxide biosynthetic process
D0051879molecular_functionHsp90 protein binding
D0055093biological_processresponse to hyperoxia
D0060137biological_processmaternal process involved in parturition
D0070330molecular_functionaromatase activity
D0070365biological_processhepatocyte differentiation
D0070576molecular_functionvitamin D 24-hydroxylase activity
D0071280biological_processcellular response to copper ion
D0071407biological_processcellular response to organic cyclic compound
D0097267biological_processomega-hydroxylase P450 pathway
D0101020molecular_functionestrogen 16-alpha-hydroxylase activity
D0101021molecular_functionestrogen 2-hydroxylase activity
D0102033molecular_functionlong-chain fatty acid omega-hydroxylase activity
D0106256molecular_functionhydroperoxy icosatetraenoate dehydratase activity
D0120319molecular_functionlong-chain fatty acid omega-1 hydroxylase activity
D1900087biological_processpositive regulation of G1/S transition of mitotic cell cycle
D1904681biological_processresponse to 3-methylcholanthrene
Functional Information from PDB Data
site_idAC1
Number of Residues19
Detailsbinding site for residue HEM A 601
ChainResidue
AARG106
AVAL382
ATHR385
AHIS388
AILE449
APHE450
AARG455
ACYS457
AILE458
AALA463
AAQ4602
ASER122
ATRP131
AARG135
AILE198
ALEU314
AALA317
ATHR321
APHE381

site_idAC2
Number of Residues14
Detailsbinding site for residue AQ4 A 602
ChainResidue
ASER122
APHE123
AASN222
APHE224
ALEU254
AASN255
APHE258
AASP313
AGLY316
AALA317
APHE319
AASP320
AHEM601
AHOH702

site_idAC3
Number of Residues2
Detailsbinding site for residue CPS A 603
ChainResidue
AGLN263
AGLU305

site_idAC4
Number of Residues18
Detailsbinding site for residue HEM B 601
ChainResidue
BARG106
BSER122
BTRP131
BARG135
BLEU314
BALA317
BTHR321
BPHE381
BVAL382
BTHR385
BHIS388
BGLN411
BILE449
BPHE450
BARG455
BCYS457
BILE458
BALA463

site_idAC5
Number of Residues10
Detailsbinding site for residue AQ4 B 602
ChainResidue
BASN222
BPHE224
BPHE251
BLEU254
BASN255
BPHE258
BGLY316
BALA317
BPHE319
BASP320

site_idAC6
Number of Residues5
Detailsbinding site for residue CPS B 603
ChainResidue
BTYR259
BGLN263
BTYR270
BGLU305
BILE308

site_idAC7
Number of Residues14
Detailsbinding site for residue HEM C 601
ChainResidue
CARG106
CSER122
CTRP131
CARG135
CALA317
CTHR321
CPHE381
CTHR385
CHIS388
CILE449
CPHE450
CARG455
CCYS457
CILE458

site_idAC8
Number of Residues13
Detailsbinding site for residue AQ4 C 602
ChainResidue
CILE115
CSER122
CPHE123
CASN222
CPHE224
CLEU254
CASN255
CPHE258
CASP313
CGLY316
CALA317
CPHE319
CLEU496

site_idAC9
Number of Residues17
Detailsbinding site for residue HEM D 601
ChainResidue
DALA317
DGLY318
DTHR321
DPHE381
DVAL382
DTHR385
DHIS388
DILE449
DPHE450
DARG455
DCYS457
DILE458
DALA463
DARG106
DSER122
DARG135
DLEU314

site_idAD1
Number of Residues8
Detailsbinding site for residue AQ4 D 602
ChainResidue
DPHE123
DASN222
DPHE224
DPHE258
DASP313
DGLY316
DALA317
DPHE319

Functional Information from PROSITE/UniProt
site_idPS00086
Number of Residues10
DetailsCYTOCHROME_P450 Cytochrome P450 cysteine heme-iron ligand signature. FGmGKRKCIG
ChainResidueDetails
APHE450-GLY459

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues4
DetailsBINDING: BINDING => ECO:0000269|PubMed:23508959
ChainResidueDetails
APHE224
BPHE224
CPHE224
DPHE224

site_idSWS_FT_FI2
Number of Residues4
DetailsBINDING: axial binding residue => ECO:0000269|PubMed:23508959
ChainResidueDetails
ACYS457
BCYS457
CCYS457
DCYS457

site_idSWS_FT_FI3
Number of Residues4
DetailsCARBOHYD: O-linked (GlcNAc) serine => ECO:0000250
ChainResidueDetails
ASER67
BSER67
CSER67
DSER67

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PDB entries from 2024-07-10

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