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2J0D

Crystal structure of human P450 3A4 in complex with erythromycin

Functional Information from GO Data
ChainGOidnamespacecontents
A0002933biological_processlipid hydroxylation
A0004497molecular_functionmonooxygenase activity
A0005496molecular_functionsteroid binding
A0005506molecular_functioniron ion binding
A0005515molecular_functionprotein binding
A0005737cellular_componentcytoplasm
A0005783cellular_componentendoplasmic reticulum
A0005789cellular_componentendoplasmic reticulum membrane
A0006629biological_processlipid metabolic process
A0006631biological_processfatty acid metabolic process
A0006694biological_processsteroid biosynthetic process
A0006706biological_processsteroid catabolic process
A0006805biological_processxenobiotic metabolic process
A0008202biological_processsteroid metabolic process
A0008203biological_processcholesterol metabolic process
A0008209biological_processandrogen metabolic process
A0008210biological_processestrogen metabolic process
A0008395molecular_functionsteroid hydroxylase activity
A0008401molecular_functionretinoic acid 4-hydroxylase activity
A0009822biological_processalkaloid catabolic process
A0016020cellular_componentmembrane
A0016098biological_processmonoterpenoid metabolic process
A0016491molecular_functionoxidoreductase activity
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
A0019825molecular_functionoxygen binding
A0019899molecular_functionenzyme binding
A0020037molecular_functionheme binding
A0030343molecular_functionvitamin D3 25-hydroxylase activity
A0034875molecular_functioncaffeine oxidase activity
A0036378biological_processcalcitriol biosynthetic process from calciol
A0042178biological_processxenobiotic catabolic process
A0042359biological_processvitamin D metabolic process
A0042369biological_processvitamin D catabolic process
A0042572biological_processretinol metabolic process
A0042573biological_processretinoic acid metabolic process
A0042759biological_processlong-chain fatty acid biosynthetic process
A0043231cellular_componentintracellular membrane-bounded organelle
A0046222biological_processaflatoxin metabolic process
A0046872molecular_functionmetal ion binding
A0050591molecular_functionquinine 3-monooxygenase activity
A0050649molecular_functiontestosterone 6-beta-hydroxylase activity
A0062181molecular_function1-alpha,25-dihydroxyvitamin D3 23-hydroxylase activity
A0062187molecular_functionanandamide 8,9 epoxidase activity
A0062188molecular_functionanandamide 11,12 epoxidase activity
A0062189molecular_functionanandamide 14,15 epoxidase activity
A0070330molecular_functionaromatase activity
A0070576molecular_functionvitamin D 24-hydroxylase activity
A0070989biological_processoxidative demethylation
A0101020molecular_functionestrogen 16-alpha-hydroxylase activity
A0101021molecular_functionestrogen 2-hydroxylase activity
A0102320molecular_function1,8-cineole 2-exo-monooxygenase activity
B0002933biological_processlipid hydroxylation
B0004497molecular_functionmonooxygenase activity
B0005496molecular_functionsteroid binding
B0005506molecular_functioniron ion binding
B0005515molecular_functionprotein binding
B0005737cellular_componentcytoplasm
B0005783cellular_componentendoplasmic reticulum
B0005789cellular_componentendoplasmic reticulum membrane
B0006629biological_processlipid metabolic process
B0006631biological_processfatty acid metabolic process
B0006694biological_processsteroid biosynthetic process
B0006706biological_processsteroid catabolic process
B0006805biological_processxenobiotic metabolic process
B0008202biological_processsteroid metabolic process
B0008203biological_processcholesterol metabolic process
B0008209biological_processandrogen metabolic process
B0008210biological_processestrogen metabolic process
B0008395molecular_functionsteroid hydroxylase activity
B0008401molecular_functionretinoic acid 4-hydroxylase activity
B0009822biological_processalkaloid catabolic process
B0016020cellular_componentmembrane
B0016098biological_processmonoterpenoid metabolic process
B0016491molecular_functionoxidoreductase activity
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
B0019825molecular_functionoxygen binding
B0019899molecular_functionenzyme binding
B0020037molecular_functionheme binding
B0030343molecular_functionvitamin D3 25-hydroxylase activity
B0034875molecular_functioncaffeine oxidase activity
B0036378biological_processcalcitriol biosynthetic process from calciol
B0042178biological_processxenobiotic catabolic process
B0042359biological_processvitamin D metabolic process
B0042369biological_processvitamin D catabolic process
B0042572biological_processretinol metabolic process
B0042573biological_processretinoic acid metabolic process
B0042759biological_processlong-chain fatty acid biosynthetic process
B0043231cellular_componentintracellular membrane-bounded organelle
B0046222biological_processaflatoxin metabolic process
B0046872molecular_functionmetal ion binding
B0050591molecular_functionquinine 3-monooxygenase activity
B0050649molecular_functiontestosterone 6-beta-hydroxylase activity
B0062181molecular_function1-alpha,25-dihydroxyvitamin D3 23-hydroxylase activity
B0062187molecular_functionanandamide 8,9 epoxidase activity
B0062188molecular_functionanandamide 11,12 epoxidase activity
B0062189molecular_functionanandamide 14,15 epoxidase activity
B0070330molecular_functionaromatase activity
B0070576molecular_functionvitamin D 24-hydroxylase activity
B0070989biological_processoxidative demethylation
B0101020molecular_functionestrogen 16-alpha-hydroxylase activity
B0101021molecular_functionestrogen 2-hydroxylase activity
B0102320molecular_function1,8-cineole 2-exo-monooxygenase activity
Functional Information from PDB Data
site_idAC1
Number of Residues9
DetailsBINDING SITE FOR RESIDUE ERY A1498
ChainResidue
APHE57
AARG106
APHE108
ASER119
APHE220
AALA305
AARG372
AGLU374
AHEM1497

site_idAC2
Number of Residues21
DetailsBINDING SITE FOR RESIDUE HEM A1497
ChainResidue
AARG105
AILE118
ASER119
ATRP126
AARG130
APHE137
APHE271
AALA305
AGLY306
AARG375
APRO434
APHE435
AGLY436
ASER437
AARG440
AASN441
ACYS442
AILE443
APHE447
AALA448
AERY1498

site_idAC3
Number of Residues17
DetailsBINDING SITE FOR RESIDUE HEM B1497
ChainResidue
BARG105
BILE118
BSER119
BTRP126
BARG130
BPHE137
BALA305
BGLY306
BTHR309
BVAL313
BALA370
BARG375
BPRO434
BPHE435
BARG440
BCYS442
BILE443

Functional Information from PROSITE/UniProt
site_idPS00086
Number of Residues10
DetailsCYTOCHROME_P450 Cytochrome P450 cysteine heme-iron ligand signature. FGsGPRNCIG
ChainResidueDetails
APHE435-GLY444

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues2
DetailsBINDING: axial binding residue => ECO:0007744|PDB:1TQN, ECO:0007744|PDB:1W0G
ChainResidueDetails
AILE443
BILE443

Catalytic Information from CSA
site_idCSA1
Number of Residues2
DetailsAnnotated By Reference To The Literature 1akd
ChainResidueDetails
ATHR309
AGLU308

site_idCSA2
Number of Residues2
DetailsAnnotated By Reference To The Literature 1akd
ChainResidueDetails
BTHR309
BGLU308

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PDB entries from 2024-07-24

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