5TE8

Crystal structure of the midazolam-bound human CYP3A4

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0002933	biological_process	lipid hydroxylation
A	0004497	molecular_function	monooxygenase activity
A	0005496	molecular_function	steroid binding
A	0005506	molecular_function	iron ion binding
A	0005515	molecular_function	protein binding
A	0005737	cellular_component	cytoplasm
A	0005783	cellular_component	endoplasmic reticulum
A	0005789	cellular_component	endoplasmic reticulum membrane
A	0006629	biological_process	lipid metabolic process
A	0006631	biological_process	fatty acid metabolic process
A	0006694	biological_process	steroid biosynthetic process
A	0006706	biological_process	steroid catabolic process
A	0006805	biological_process	xenobiotic metabolic process
A	0008202	biological_process	steroid metabolic process
A	0008203	biological_process	cholesterol metabolic process
A	0008209	biological_process	androgen metabolic process
A	0008210	biological_process	estrogen metabolic process
A	0008395	molecular_function	steroid hydroxylase activity
A	0008401	molecular_function	retinoic acid 4-hydroxylase activity
A	0009822	biological_process	alkaloid catabolic process
A	0016020	cellular_component	membrane
A	0016098	biological_process	monoterpenoid metabolic process
A	0016491	molecular_function	oxidoreductase activity
A	0016705	molecular_function	oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
A	0016712	molecular_function	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
A	0019825	molecular_function	oxygen binding
A	0019899	molecular_function	enzyme binding
A	0020037	molecular_function	heme binding
A	0030343	molecular_function	vitamin D3 25-hydroxylase activity
A	0034875	molecular_function	caffeine oxidase activity
A	0036378	biological_process	calcitriol biosynthetic process from calciol
A	0042178	biological_process	xenobiotic catabolic process
A	0042359	biological_process	vitamin D metabolic process
A	0042369	biological_process	vitamin D catabolic process
A	0042572	biological_process	retinol metabolic process
A	0042573	biological_process	retinoic acid metabolic process
A	0042759	biological_process	long-chain fatty acid biosynthetic process
A	0043231	cellular_component	intracellular membrane-bounded organelle
A	0046222	biological_process	aflatoxin metabolic process
A	0046872	molecular_function	metal ion binding
A	0050591	molecular_function	quinine 3-monooxygenase activity
A	0050649	molecular_function	testosterone 6-beta-hydroxylase activity
A	0062181	molecular_function	1-alpha,25-dihydroxyvitamin D3 23-hydroxylase activity
A	0062187	molecular_function	anandamide 8,9 epoxidase activity
A	0062188	molecular_function	anandamide 11,12 epoxidase activity
A	0062189	molecular_function	anandamide 14,15 epoxidase activity
A	0070330	molecular_function	aromatase activity
A	0070576	molecular_function	vitamin D 24-hydroxylase activity
A	0070989	biological_process	oxidative demethylation
A	0101020	molecular_function	estrogen 16-alpha-hydroxylase activity
A	0101021	molecular_function	estrogen 2-hydroxylase activity
A	0102320	molecular_function	1,8-cineole 2-exo-monooxygenase activity
B	0002933	biological_process	lipid hydroxylation
B	0004497	molecular_function	monooxygenase activity
B	0005496	molecular_function	steroid binding
B	0005506	molecular_function	iron ion binding
B	0005515	molecular_function	protein binding
B	0005737	cellular_component	cytoplasm
B	0005783	cellular_component	endoplasmic reticulum
B	0005789	cellular_component	endoplasmic reticulum membrane
B	0006629	biological_process	lipid metabolic process
B	0006631	biological_process	fatty acid metabolic process
B	0006694	biological_process	steroid biosynthetic process
B	0006706	biological_process	steroid catabolic process
B	0006805	biological_process	xenobiotic metabolic process
B	0008202	biological_process	steroid metabolic process
B	0008203	biological_process	cholesterol metabolic process
B	0008209	biological_process	androgen metabolic process
B	0008210	biological_process	estrogen metabolic process
B	0008395	molecular_function	steroid hydroxylase activity
B	0008401	molecular_function	retinoic acid 4-hydroxylase activity
B	0009822	biological_process	alkaloid catabolic process
B	0016020	cellular_component	membrane
B	0016098	biological_process	monoterpenoid metabolic process
B	0016491	molecular_function	oxidoreductase activity
B	0016705	molecular_function	oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
B	0016712	molecular_function	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
B	0019825	molecular_function	oxygen binding
B	0019899	molecular_function	enzyme binding
B	0020037	molecular_function	heme binding
B	0030343	molecular_function	vitamin D3 25-hydroxylase activity
B	0034875	molecular_function	caffeine oxidase activity
B	0036378	biological_process	calcitriol biosynthetic process from calciol
B	0042178	biological_process	xenobiotic catabolic process
B	0042359	biological_process	vitamin D metabolic process
B	0042369	biological_process	vitamin D catabolic process
B	0042572	biological_process	retinol metabolic process
B	0042573	biological_process	retinoic acid metabolic process
B	0042759	biological_process	long-chain fatty acid biosynthetic process
B	0043231	cellular_component	intracellular membrane-bounded organelle
B	0046222	biological_process	aflatoxin metabolic process
B	0046872	molecular_function	metal ion binding
B	0050591	molecular_function	quinine 3-monooxygenase activity
B	0050649	molecular_function	testosterone 6-beta-hydroxylase activity
B	0062181	molecular_function	1-alpha,25-dihydroxyvitamin D3 23-hydroxylase activity
B	0062187	molecular_function	anandamide 8,9 epoxidase activity
B	0062188	molecular_function	anandamide 11,12 epoxidase activity
B	0062189	molecular_function	anandamide 14,15 epoxidase activity
B	0070330	molecular_function	aromatase activity
B	0070576	molecular_function	vitamin D 24-hydroxylase activity
B	0070989	biological_process	oxidative demethylation
B	0101020	molecular_function	estrogen 16-alpha-hydroxylase activity
B	0101021	molecular_function	estrogen 2-hydroxylase activity
B	0102320	molecular_function	1,8-cineole 2-exo-monooxygenase activity
C	0002933	biological_process	lipid hydroxylation
C	0004497	molecular_function	monooxygenase activity
C	0005496	molecular_function	steroid binding
C	0005506	molecular_function	iron ion binding
C	0005515	molecular_function	protein binding
C	0005737	cellular_component	cytoplasm
C	0005783	cellular_component	endoplasmic reticulum
C	0005789	cellular_component	endoplasmic reticulum membrane
C	0006629	biological_process	lipid metabolic process
C	0006631	biological_process	fatty acid metabolic process
C	0006694	biological_process	steroid biosynthetic process
C	0006706	biological_process	steroid catabolic process
C	0006805	biological_process	xenobiotic metabolic process
C	0008202	biological_process	steroid metabolic process
C	0008203	biological_process	cholesterol metabolic process
C	0008209	biological_process	androgen metabolic process
C	0008210	biological_process	estrogen metabolic process
C	0008395	molecular_function	steroid hydroxylase activity
C	0008401	molecular_function	retinoic acid 4-hydroxylase activity
C	0009822	biological_process	alkaloid catabolic process
C	0016020	cellular_component	membrane
C	0016098	biological_process	monoterpenoid metabolic process
C	0016491	molecular_function	oxidoreductase activity
C	0016705	molecular_function	oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
C	0016712	molecular_function	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
C	0019825	molecular_function	oxygen binding
C	0019899	molecular_function	enzyme binding
C	0020037	molecular_function	heme binding
C	0030343	molecular_function	vitamin D3 25-hydroxylase activity
C	0034875	molecular_function	caffeine oxidase activity
C	0036378	biological_process	calcitriol biosynthetic process from calciol
C	0042178	biological_process	xenobiotic catabolic process
C	0042359	biological_process	vitamin D metabolic process
C	0042369	biological_process	vitamin D catabolic process
C	0042572	biological_process	retinol metabolic process
C	0042573	biological_process	retinoic acid metabolic process
C	0042759	biological_process	long-chain fatty acid biosynthetic process
C	0043231	cellular_component	intracellular membrane-bounded organelle
C	0046222	biological_process	aflatoxin metabolic process
C	0046872	molecular_function	metal ion binding
C	0050591	molecular_function	quinine 3-monooxygenase activity
C	0050649	molecular_function	testosterone 6-beta-hydroxylase activity
C	0062181	molecular_function	1-alpha,25-dihydroxyvitamin D3 23-hydroxylase activity
C	0062187	molecular_function	anandamide 8,9 epoxidase activity
C	0062188	molecular_function	anandamide 11,12 epoxidase activity
C	0062189	molecular_function	anandamide 14,15 epoxidase activity
C	0070330	molecular_function	aromatase activity
C	0070576	molecular_function	vitamin D 24-hydroxylase activity
C	0070989	biological_process	oxidative demethylation
C	0101020	molecular_function	estrogen 16-alpha-hydroxylase activity
C	0101021	molecular_function	estrogen 2-hydroxylase activity
C	0102320	molecular_function	1,8-cineole 2-exo-monooxygenase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	23
Details	binding site for residue HEM A 601

Chain	Residue
A	ARG105
A	LEU373
A	ARG375
A	PRO434
A	PHE435
A	GLY436
A	SER437
A	ARG440
A	ASN441
A	CYS442
A	ILE443
A	ILE118
A	PHE447
A	ALA448
A	MET452
A	08J602
A	SER119
A	TRP126
A	ARG130
A	PHE302
A	ALA305
A	THR309
A	ALA370

---

site_id	AC2
Number of Residues	7
Details	binding site for residue 08J A 602

Chain	Residue
A	ARG105
A	SER119
A	LEU216
A	ALA305
A	THR309
A	GLY481
A	HEM601

---

site_id	AC3
Number of Residues	21
Details	binding site for residue HEM B 601

Chain	Residue
B	ARG105
B	ILE118
B	TRP126
B	ARG130
B	PHE302
B	ALA305
B	THR309
B	THR310
B	ALA370
B	LEU373
B	ARG375
B	PRO434
B	PHE435
B	GLY436
B	ARG440
B	ASN441
B	CYS442
B	ILE443
B	ALA448
B	08J602
B	HOH706

---

site_id	AC4
Number of Residues	8
Details	binding site for residue 08J B 602

Chain	Residue
B	ARG105
B	SER119
B	LEU216
B	ALA305
B	THR309
B	ALA370
B	LEU482
B	HEM601

---

site_id	AC5
Number of Residues	19
Details	binding site for residue HEM C 601

Chain	Residue
C	ARG105
C	ILE118
C	SER119
C	TRP126
C	ARG130
C	PHE302
C	ALA305
C	THR309
C	VAL313
C	ILE369
C	ARG375
C	PRO434
C	PHE435
C	ARG440
C	ASN441
C	CYS442
C	ILE443
C	ALA448
C	08J602

---

site_id	AC6
Number of Residues	6
Details	binding site for residue 08J C 602

Chain	Residue
C	ARG105
C	SER119
C	LEU216
C	THR309
C	ILE369
C	HEM601

---

Functional Information from PROSITE/UniProt

site_id	PS00086
Number of Residues	10
Details	CYTOCHROME_P450 Cytochrome P450 cysteine heme-iron ligand signature. FGsGPRNCIG

Chain	Residue	Details
A	PHE435-GLY444

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	3
Details	BINDING: axial binding residue => ECO:0007744|PDB:1TQN, ECO:0007744|PDB:1W0G

Chain	Residue	Details
A	CYS442
B	CYS442
C	CYS442

---