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3E6I

Human cytochrome P450 2E1 in complex with the inhibitor indazole

Functional Information from GO Data
ChainGOidnamespacecontents
A0001676biological_processlong-chain fatty acid metabolic process
A0002933biological_processlipid hydroxylation
A0004497molecular_functionmonooxygenase activity
A0005506molecular_functioniron ion binding
A0005737cellular_componentcytoplasm
A0005739cellular_componentmitochondrion
A0005743cellular_componentmitochondrial inner membrane
A0005783cellular_componentendoplasmic reticulum
A0005789cellular_componentendoplasmic reticulum membrane
A0006631biological_processfatty acid metabolic process
A0006805biological_processxenobiotic metabolic process
A0008202biological_processsteroid metabolic process
A0008392molecular_functionarachidonic acid epoxygenase activity
A0009617biological_processresponse to bacterium
A0016098biological_processmonoterpenoid metabolic process
A0016491molecular_functionoxidoreductase activity
A0016705molecular_functionoxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
A0016709molecular_functionoxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, NAD(P)H as one donor, and incorporation of one atom of 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
A0018601molecular_function4-nitrophenol 2-monooxygenase activity
A0018885biological_processcarbon tetrachloride metabolic process
A0018910biological_processbenzene metabolic process
A0018960biological_process4-nitrophenol metabolic process
A0019373biological_processepoxygenase P450 pathway
A0019825molecular_functionoxygen binding
A0019899molecular_functionenzyme binding
A0020037molecular_functionheme binding
A0030544molecular_functionHsp70 protein binding
A0042197biological_processhalogenated hydrocarbon metabolic process
A0042759biological_processlong-chain fatty acid biosynthetic process
A0043231cellular_componentintracellular membrane-bounded organelle
A0046872molecular_functionmetal ion binding
A0051879molecular_functionHsp90 protein binding
A0070330molecular_functionaromatase activity
A0120319molecular_functionlong-chain fatty acid omega-1 hydroxylase activity
B0001676biological_processlong-chain fatty acid metabolic process
B0002933biological_processlipid hydroxylation
B0004497molecular_functionmonooxygenase activity
B0005506molecular_functioniron ion binding
B0005737cellular_componentcytoplasm
B0005739cellular_componentmitochondrion
B0005743cellular_componentmitochondrial inner membrane
B0005783cellular_componentendoplasmic reticulum
B0005789cellular_componentendoplasmic reticulum membrane
B0006631biological_processfatty acid metabolic process
B0006805biological_processxenobiotic metabolic process
B0008202biological_processsteroid metabolic process
B0008392molecular_functionarachidonic acid epoxygenase activity
B0009617biological_processresponse to bacterium
B0016098biological_processmonoterpenoid metabolic process
B0016491molecular_functionoxidoreductase activity
B0016705molecular_functionoxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
B0016709molecular_functionoxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, NAD(P)H as one donor, and incorporation of one atom of 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
B0018601molecular_function4-nitrophenol 2-monooxygenase activity
B0018885biological_processcarbon tetrachloride metabolic process
B0018910biological_processbenzene metabolic process
B0018960biological_process4-nitrophenol metabolic process
B0019373biological_processepoxygenase P450 pathway
B0019825molecular_functionoxygen binding
B0019899molecular_functionenzyme binding
B0020037molecular_functionheme binding
B0030544molecular_functionHsp70 protein binding
B0042197biological_processhalogenated hydrocarbon metabolic process
B0042759biological_processlong-chain fatty acid biosynthetic process
B0043231cellular_componentintracellular membrane-bounded organelle
B0046872molecular_functionmetal ion binding
B0051879molecular_functionHsp90 protein binding
B0070330molecular_functionaromatase activity
B0120319molecular_functionlong-chain fatty acid omega-1 hydroxylase activity
Functional Information from PDB Data
site_idAC1
Number of Residues21
DetailsBINDING SITE FOR RESIDUE HEM A 500
ChainResidue
AARG100
ATHR304
ATHR307
AASN367
AHIS370
APRO429
APHE430
ASER431
AARG435
ACYS437
AALA438
AILE114
AGLY439
AALA443
AILE115
ATRP122
AARG126
ALEU296
AALA299
AGLY300
ATHR303

site_idAC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE LZ1 A 501
ChainResidue
APHE298
AALA299
ATHR303
APHE478

site_idAC3
Number of Residues21
DetailsBINDING SITE FOR RESIDUE HEM B 500
ChainResidue
BARG100
BILE114
BILE115
BTRP122
BARG126
BILE180
BALA299
BGLY300
BTHR303
BTHR307
BASN367
BLEU368
BHIS370
BPRO429
BPHE430
BSER431
BARG435
BCYS437
BALA438
BGLY439
BALA443

site_idAC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE LZ1 B 501
ChainResidue
BPHE298
BALA299
BTHR303
BPHE478

Functional Information from PROSITE/UniProt
site_idPS00086
Number of Residues10
DetailsCYTOCHROME_P450 Cytochrome P450 cysteine heme-iron ligand signature. FStGKRVCAG
ChainResidueDetails
APHE430-GLY439

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues2
DetailsBINDING: BINDING => ECO:0000305
ChainResidueDetails
APHE298
BPHE298

site_idSWS_FT_FI2
Number of Residues2
DetailsBINDING: axial binding residue
ChainResidueDetails
ACYS437
BCYS437

Catalytic Information from CSA
site_idCSA1
Number of Residues2
DetailsAnnotated By Reference To The Literature 1akd
ChainResidueDetails
AGLU302
ATHR303

site_idCSA2
Number of Residues2
DetailsAnnotated By Reference To The Literature 1akd
ChainResidueDetails
BGLU302
BTHR303

219140

PDB entries from 2024-05-01

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