2D09

A Role for Active Site Water Molecules and Hydroxyl Groups of Substrate for Oxygen Activation in Cytochrome P450 158A2

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004497	molecular_function	monooxygenase activity
A	0005506	molecular_function	iron ion binding
A	0006707	biological_process	cholesterol catabolic process
A	0008395	molecular_function	steroid hydroxylase activity
A	0016491	molecular_function	oxidoreductase activity
A	0016705	molecular_function	oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
A	0020037	molecular_function	heme binding
A	0036199	molecular_function	cholest-4-en-3-one 26-monooxygenase activity
A	0042440	biological_process	pigment metabolic process
A	0046872	molecular_function	metal ion binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	23
Details	BINDING SITE FOR RESIDUE HEM A 430

Chain	Residue
A	ARG71
A	LEU282
A	HIS287
A	ARG295
A	TYR318
A	SER345
A	PHE346
A	HIS351
A	CYS353
A	PRO354
A	ALA359
A	VAL93
A	FLV431
A	OXY433
A	HOH503
A	HOH680
A	GLY94
A	HIS101
A	ARG105
A	PHE112
A	LEU239
A	GLY242
A	GLY243

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site_id	AC2
Number of Residues	13
Details	BINDING SITE FOR RESIDUE FLV A 431

Chain	Residue
A	ARG71
A	ARG288
A	GLY292
A	LEU293
A	HEM430
A	FLV432
A	OXY433
A	HOH503
A	HOH529
A	HOH537
A	HOH545
A	HOH564
A	HOH664

---

site_id	AC3
Number of Residues	12
Details	BINDING SITE FOR RESIDUE FLV A 432

Chain	Residue
A	ILE87
A	PRO88
A	ILE241
A	ARG288
A	GLY292
A	LEU393
A	FLV431
A	HOH528
A	HOH545
A	HOH607
A	HOH664
A	HOH747

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site_id	AC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE OXY A 433

Chain	Residue
A	GLY242
A	HEM430
A	FLV431
A	HOH529

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Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
A	PHE346-GLY355

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Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	2
Details	BINDING: BINDING => ECO:0000269|PubMed:15659395, ECO:0000269|PubMed:16239228, ECO:0007744|PDB:1T93, ECO:0007744|PDB:2D09

Chain	Residue	Details
A	ARG288
A	LEU293

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site_id	SWS_FT_FI2
Number of Residues	1
Details	BINDING: axial binding residue => ECO:0000269|PubMed:15659395, ECO:0000269|PubMed:16239228, ECO:0000269|PubMed:22203090, ECO:0007744|PDB:1S1F, ECO:0007744|PDB:1SE6, ECO:0007744|PDB:1T93, ECO:0007744|PDB:2D09, ECO:0007744|PDB:2D0E, ECO:0007744|PDB:3TZO

Chain	Residue	Details
A	CYS353

---

site_id	SWS_FT_FI3
Number of Residues	1
Details	SITE: Involved in determining product regiospecificity => ECO:0000269|PubMed:22203090

Chain	Residue	Details
A	ILE87

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