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4EJJ

Human Cytochrome P450 2A6 in complex with nicotine

Functional Information from GO Data
ChainGOidnamespacecontents
A0004497molecular_functionmonooxygenase activity
A0005506molecular_functioniron ion binding
A0005515molecular_functionprotein binding
A0005737cellular_componentcytoplasm
A0005783cellular_componentendoplasmic reticulum
A0005789cellular_componentendoplasmic reticulum membrane
A0005881cellular_componentcytoplasmic microtubule
A0006629biological_processlipid metabolic process
A0006805biological_processxenobiotic metabolic process
A0008202biological_processsteroid metabolic process
A0008389molecular_functioncoumarin 7-hydroxylase activity
A0008392molecular_functionarachidonate epoxygenase activity
A0009804biological_processcoumarin metabolic process
A0016020cellular_componentmembrane
A0016705molecular_functionoxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
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
A0019373biological_processepoxygenase P450 pathway
A0019899molecular_functionenzyme binding
A0020037molecular_functionheme binding
A0042178biological_processxenobiotic catabolic process
A0043231cellular_componentintracellular membrane-bounded organelle
A0046226biological_processcoumarin catabolic process
A0046872molecular_functionmetal ion binding
B0004497molecular_functionmonooxygenase activity
B0005506molecular_functioniron ion binding
B0005515molecular_functionprotein binding
B0005737cellular_componentcytoplasm
B0005783cellular_componentendoplasmic reticulum
B0005789cellular_componentendoplasmic reticulum membrane
B0005881cellular_componentcytoplasmic microtubule
B0006629biological_processlipid metabolic process
B0006805biological_processxenobiotic metabolic process
B0008202biological_processsteroid metabolic process
B0008389molecular_functioncoumarin 7-hydroxylase activity
B0008392molecular_functionarachidonate epoxygenase activity
B0009804biological_processcoumarin metabolic process
B0016020cellular_componentmembrane
B0016705molecular_functionoxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
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
B0019373biological_processepoxygenase P450 pathway
B0019899molecular_functionenzyme binding
B0020037molecular_functionheme binding
B0042178biological_processxenobiotic catabolic process
B0043231cellular_componentintracellular membrane-bounded organelle
B0046226biological_processcoumarin catabolic process
B0046872molecular_functionmetal ion binding
C0004497molecular_functionmonooxygenase activity
C0005506molecular_functioniron ion binding
C0005515molecular_functionprotein binding
C0005737cellular_componentcytoplasm
C0005783cellular_componentendoplasmic reticulum
C0005789cellular_componentendoplasmic reticulum membrane
C0005881cellular_componentcytoplasmic microtubule
C0006629biological_processlipid metabolic process
C0006805biological_processxenobiotic metabolic process
C0008202biological_processsteroid metabolic process
C0008389molecular_functioncoumarin 7-hydroxylase activity
C0008392molecular_functionarachidonate epoxygenase activity
C0009804biological_processcoumarin metabolic process
C0016020cellular_componentmembrane
C0016705molecular_functionoxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
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
C0019373biological_processepoxygenase P450 pathway
C0019899molecular_functionenzyme binding
C0020037molecular_functionheme binding
C0042178biological_processxenobiotic catabolic process
C0043231cellular_componentintracellular membrane-bounded organelle
C0046226biological_processcoumarin catabolic process
C0046872molecular_functionmetal ion binding
D0004497molecular_functionmonooxygenase activity
D0005506molecular_functioniron ion binding
D0005515molecular_functionprotein binding
D0005737cellular_componentcytoplasm
D0005783cellular_componentendoplasmic reticulum
D0005789cellular_componentendoplasmic reticulum membrane
D0005881cellular_componentcytoplasmic microtubule
D0006629biological_processlipid metabolic process
D0006805biological_processxenobiotic metabolic process
D0008202biological_processsteroid metabolic process
D0008389molecular_functioncoumarin 7-hydroxylase activity
D0008392molecular_functionarachidonate epoxygenase activity
D0009804biological_processcoumarin metabolic process
D0016020cellular_componentmembrane
D0016705molecular_functionoxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
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
D0019373biological_processepoxygenase P450 pathway
D0019899molecular_functionenzyme binding
D0020037molecular_functionheme binding
D0042178biological_processxenobiotic catabolic process
D0043231cellular_componentintracellular membrane-bounded organelle
D0046226biological_processcoumarin catabolic process
D0046872molecular_functionmetal ion binding
Functional Information from PDB Data
site_idAC1
Number of Residues18
DetailsBINDING SITE FOR RESIDUE HEM A 500
ChainResidue
AARG101
APHE432
ASER433
AARG437
AASN438
ACYS439
APHE440
AGLY441
ANCT501
AHOH647
AVAL117
AARG128
AGLY301
AGLY302
ATHR305
AARG372
ALEU395
APRO431

site_idAC2
Number of Residues7
DetailsBINDING SITE FOR RESIDUE NCT A 501
ChainResidue
APHE107
APHE209
AASN297
AGLY301
ATHR305
APHE480
AHEM500

site_idAC3
Number of Residues19
DetailsBINDING SITE FOR RESIDUE HEM B 500
ChainResidue
BARG101
BVAL117
BARG128
BGLY301
BGLY302
BTHR305
BGLN360
BSER369
BARG372
BLEU395
BPRO431
BPHE432
BSER433
BILE434
BARG437
BASN438
BCYS439
BPHE440
BNCT501

site_idAC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE NCT B 501
ChainResidue
BPHE107
BASN297
BTHR305
BHEM500

site_idAC5
Number of Residues19
DetailsBINDING SITE FOR RESIDUE HEM C 500
ChainResidue
CARG101
CVAL117
CARG128
CGLY301
CGLY302
CTHR305
CVAL306
CTHR309
CLEU370
CARG372
CLEU395
CPRO431
CPHE432
CSER433
CARG437
CASN438
CCYS439
CPHE440
CNCT501

site_idAC6
Number of Residues5
DetailsBINDING SITE FOR RESIDUE NCT C 501
ChainResidue
CPHE107
CPHE209
CASN297
CGLY301
CHEM500

site_idAC7
Number of Residues5
DetailsBINDING SITE FOR RESIDUE NCT D 501
ChainResidue
DGLY301
DTHR305
DLEU370
DPHE480
DHEM502

site_idAC8
Number of Residues21
DetailsBINDING SITE FOR RESIDUE HEM D 502
ChainResidue
DARG101
DVAL117
DARG128
DGLY301
DGLY302
DTHR305
DVAL306
DSER369
DLEU370
DARG372
DLEU395
DPRO431
DPHE432
DSER433
DARG437
DCYS439
DPHE440
DGLY441
DALA445
DNCT501
DHOH618

Functional Information from PROSITE/UniProt
site_idPS00086
Number of Residues10
DetailsCYTOCHROME_P450 Cytochrome P450 cysteine heme-iron ligand signature. FSiGKRNCFG
ChainResidueDetails
APHE432-GLY441

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues4
DetailsBINDING: BINDING => ECO:0000305
ChainResidueDetails
ATHR106
BTHR106
CTHR106
DTHR106

site_idSWS_FT_FI2
Number of Residues4
DetailsBINDING:
ChainResidueDetails
ALEU296
BLEU296
CLEU296
DLEU296

site_idSWS_FT_FI3
Number of Residues4
DetailsBINDING: axial binding residue
ChainResidueDetails
AASN438
BASN438
CASN438
DASN438

225946

PDB entries from 2024-10-09

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