Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

2UWH

Cytochrome P450 BM3 mutant in complex with palmitic acid

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004497	molecular_function	monooxygenase activity
A	0005506	molecular_function	iron ion binding
A	0016705	molecular_function	oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
A	0020037	molecular_function	heme binding
B	0004497	molecular_function	monooxygenase activity
B	0005506	molecular_function	iron ion binding
B	0016705	molecular_function	oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
B	0020037	molecular_function	heme binding
C	0004497	molecular_function	monooxygenase activity
C	0005506	molecular_function	iron ion binding
C	0016705	molecular_function	oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
C	0020037	molecular_function	heme binding
D	0004497	molecular_function	monooxygenase activity
D	0005506	molecular_function	iron ion binding
D	0016705	molecular_function	oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
D	0020037	molecular_function	heme binding
E	0004497	molecular_function	monooxygenase activity
E	0005506	molecular_function	iron ion binding
E	0016705	molecular_function	oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
E	0020037	molecular_function	heme binding
F	0004497	molecular_function	monooxygenase activity
F	0005506	molecular_function	iron ion binding
F	0016705	molecular_function	oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
F	0020037	molecular_function	heme binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	25
Details	BINDING SITE FOR RESIDUE HEM A 1459

Chain	Residue
A	LYS69
A	THR269
A	THR327
A	ALA328
A	PHE331
A	PRO392
A	PHE393
A	GLY394
A	ARG398
A	CYS400
A	ILE401
A	LEU86
A	ALA406
A	HOH2011
A	HOH2063
A	HOH2064
A	HOH2087
A	HOH2088
A	PHE87
A	TRP96
A	PHE107
A	PHE261
A	ALA264
A	GLY265
A	THR268

site_id	AC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE PLM A 1460

Chain	Residue
A	TYR51
A	PHE87
A	LEU188
A	ALA330
A	HOH2089

site_id	AC3
Number of Residues	22
Details	BINDING SITE FOR RESIDUE HEM B 1459

Chain	Residue
B	LYS69
B	LEU86
B	PHE87
B	TRP96
B	PHE107
B	PHE261
B	ALA264
B	GLY265
B	THR268
B	THR269
B	THR327
B	PHE331
B	PRO392
B	PHE393
B	GLY394
B	ARG398
B	CYS400
B	ILE401
B	HOH2072
B	HOH2084
B	HOH2093
B	HOH2094

site_id	AC4
Number of Residues	3
Details	BINDING SITE FOR RESIDUE PLM B 1460

Chain	Residue
B	ARG47
B	TYR51
B	PHE87

site_id	AC5
Number of Residues	25
Details	BINDING SITE FOR RESIDUE HEM C 1459

Chain	Residue
C	LYS69
C	LEU86
C	PHE87
C	TRP96
C	PHE107
C	PHE261
C	ALA264
C	GLY265
C	THR268
C	THR269
C	LEU272
C	THR327
C	ALA328
C	PHE331
C	PRO392
C	PHE393
C	ARG398
C	CYS400
C	ILE401
C	GLY402
C	ALA406
C	HOH2086
C	HOH2087
C	HOH2088
C	HOH2089

site_id	AC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE PLM C 1460

Chain	Residue
C	LEU20
C	ARG47
C	TYR51
C	LEU188
C	LEU437

site_id	AC7
Number of Residues	22
Details	BINDING SITE FOR RESIDUE HEM D 1459

Chain	Residue
D	PHE393
D	GLY394
D	ARG398
D	CYS400
D	ILE401
D	ALA406
D	HOH2082
D	HOH2083
D	LYS69
D	LEU86
D	PHE87
D	TRP96
D	PHE107
D	PHE261
D	ALA264
D	GLY265
D	THR268
D	THR269
D	THR327
D	ALA328
D	PHE331
D	PRO392

site_id	AC8
Number of Residues	7
Details	BINDING SITE FOR RESIDUE PLM D 1460

Chain	Residue
D	LEU20
D	ARG47
D	TYR51
D	PHE87
D	LEU188
D	ALA264
D	PRO329

site_id	AC9
Number of Residues	20
Details	BINDING SITE FOR RESIDUE HEM E 1459

Chain	Residue
E	LYS69
E	LEU86
E	PHE87
E	TRP96
E	PHE107
E	PHE261
E	ALA264
E	GLY265
E	THR268
E	THR269
E	LEU272
E	THR327
E	ALA328
E	PHE331
E	PRO392
E	PHE393
E	ARG398
E	CYS400
E	ALA406
E	HOH2083

site_id	BC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE PLM E 1460

Chain	Residue
E	PHE42
E	ARG47
E	TYR51
E	PHE87

site_id	BC2
Number of Residues	23
Details	BINDING SITE FOR RESIDUE HEM F 1459

Chain	Residue
F	LYS69
F	LEU86
F	PHE87
F	TRP96
F	PHE107
F	PHE261
F	ALA264
F	GLY265
F	THR268
F	THR269
F	THR327
F	ALA328
F	PHE331
F	PRO392
F	PHE393
F	ARG398
F	CYS400
F	ILE401
F	GLY402
F	ALA406
F	HOH2056
F	HOH2070
F	HOH2082

site_id	BC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE PLM F 1460

Chain	Residue
F	VAL26
F	TYR51
F	ALA264
F	ALA330
F	LEU437

Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
A	PHE393-GLY402

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	6
Details	Binding site: {"evidences":[{"source":"PubMed","id":"15020590","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1SMJ","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI2
Number of Residues	6
Details	Binding site: {"description":"axial binding residue","evidences":[{"source":"PubMed","id":"10051560","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"11695889","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"11695892","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"14653735","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"15020590","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"15299332","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"16403573","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"17077084","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"17429965","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"17868686","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"18004886","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"18298086","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"18619466","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"18721129","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"19492389","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"20180779","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"20947800","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"21110374","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"21875028","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"7578081","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"8342039","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9033595","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1BU7","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1BVY","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1FAG","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1FAH","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1JME","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1JPZ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1P0V","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1P0W","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1P0X","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1SMI","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1SMJ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1YQO","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1YQP","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1ZO4","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1ZO9","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1ZOA","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2BMH","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2HPD","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2IJ2","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2IJ3","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2IJ4","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2J1M","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2J4S","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2UWH","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3BEN","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3CBD","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3EKB","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3EKD","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3EKF","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3HF2","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3KX3","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3KX4","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3KX5","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3M4V","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3NPL","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI3
Number of Residues	6
Details	Site: {"description":"Important for catalytic activity","evidences":[{"source":"PubMed","id":"16403573","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"7578081","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

Catalytic Information from CSA

site_id	CSA1
Number of Residues	2
Details	Annotated By Reference To The Literature 1akd

Chain	Residue	Details
A	THR268
A	GLU267

site_id	CSA2
Number of Residues	2
Details	Annotated By Reference To The Literature 1akd

Chain	Residue	Details
B	THR268
B	GLU267

site_id	CSA3
Number of Residues	2
Details	Annotated By Reference To The Literature 1akd

Chain	Residue	Details
C	THR268
C	GLU267

site_id	CSA4
Number of Residues	2
Details	Annotated By Reference To The Literature 1akd

Chain	Residue	Details
D	THR268
D	GLU267

site_id	CSA5
Number of Residues	2
Details	Annotated By Reference To The Literature 1akd

Chain	Residue	Details
E	THR268
E	GLU267

site_id	CSA6
Number of Residues	2
Details	Annotated By Reference To The Literature 1akd

Chain	Residue	Details
F	THR268
F	GLU267

site_id	MCSA1
Number of Residues	3
Details	M-CSA 699

Chain	Residue	Details
A	THR268	electrostatic stabiliser, steric role
A	PHE393	electrostatic stabiliser, steric role
A	CYS400	electrostatic stabiliser

site_id	MCSA2
Number of Residues	3
Details	M-CSA 699

Chain	Residue	Details
B	THR268	electrostatic stabiliser, steric role
B	PHE393	electrostatic stabiliser, steric role
B	CYS400	electrostatic stabiliser

site_id	MCSA3
Number of Residues	3
Details	M-CSA 699

Chain	Residue	Details
C	THR268	electrostatic stabiliser, steric role
C	PHE393	electrostatic stabiliser, steric role
C	CYS400	electrostatic stabiliser

site_id	MCSA4
Number of Residues	3
Details	M-CSA 699

Chain	Residue	Details
D	THR268	electrostatic stabiliser, steric role
D	PHE393	electrostatic stabiliser, steric role
D	CYS400	electrostatic stabiliser

site_id	MCSA5
Number of Residues	3
Details	M-CSA 699

Chain	Residue	Details
E	THR268	electrostatic stabiliser, steric role
E	PHE393	electrostatic stabiliser, steric role
E	CYS400	electrostatic stabiliser

site_id	MCSA6
Number of Residues	3
Details	M-CSA 699

Chain	Residue	Details
F	THR268	electrostatic stabiliser, steric role
F	PHE393	electrostatic stabiliser, steric role
F	CYS400	electrostatic stabiliser

		Sequence (fasta)
		PDBx/mmCIF
		PDBML format (no-atom)
		PDB format (full)
		Validation report (PDF)
		EDMap 2fo-fc (MTZ)