Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

1BU7

CRYOGENIC STRUCTURE OF CYTOCHROME P450BM-3 HEME DOMAIN

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

Functional Information from PDB Data

site_id	AC1
Number of Residues	24
Details	BINDING SITE FOR RESIDUE HEM A 999

Chain	Residue
A	LYS69
A	PHE393
A	GLY394
A	ARG398
A	ALA399
A	CYS400
A	ILE401
A	GLY402
A	ALA406
A	HOH1020
A	HOH1039
A	LEU86
A	HOH1058
A	HOH1087
A	HOH1093
A	HOH1173
A	HOH1197
A	PHE87
A	TRP96
A	GLY265
A	THR268
A	THR269
A	PHE331
A	PRO392

site_id	AC2
Number of Residues	25
Details	BINDING SITE FOR RESIDUE HEM B 1000

Chain	Residue
B	LYS69
B	LEU86
B	TRP96
B	ALA264
B	GLY265
B	THR268
B	THR269
B	THR327
B	PHE331
B	PRO392
B	PHE393
B	GLY394
B	ARG398
B	ALA399
B	CYS400
B	ILE401
B	GLY402
B	ALA406
B	HOH1023
B	HOH1055
B	HOH1105
B	HOH1144
B	HOH1151
B	HOH1152
B	HOH1380

site_id	AC3
Number of Residues	7
Details	BINDING SITE FOR RESIDUE EDO A 1001

Chain	Residue
A	HIS100
A	GLY396
A	GLN397
A	ALA399
A	ILE401
A	HOH1093
A	HOH1399

site_id	AC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE EDO A 1002

Chain	Residue
A	GLU137
A	LYS447
A	ALA448
A	EDO1003

site_id	AC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE EDO A 1003

Chain	Residue
A	TRP130
A	LEU133
A	ALA448
A	EDO1002

site_id	AC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO B 1004

Chain	Residue
B	HIS100
B	GLN397
B	ALA399
B	ILE401
B	HOH1015
B	HOH1151

site_id	AC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO B 1005

Chain	Residue
B	TRP130
B	LEU133
B	ALA448
B	EDO1006
B	HOH1061

site_id	AC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO B 1006

Chain	Residue
B	ASN134
B	GLU137
B	ALA448
B	EDO1005
B	HOH1321

site_id	AC9
Number of Residues	9
Details	BINDING SITE FOR RESIDUE EDO B 1007

Chain	Residue
B	THR245
B	GLY246
B	GLU247
B	VAL281
B	ASP425
B	ASN428
B	HOH1171
B	HOH1358
B	HOH1392

site_id	BC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE EDO A 1008

Chain	Residue
A	LYS289
A	GLU292
A	GLU293
A	ARG296

site_id	BC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE EDO B 1009

Chain	Residue
B	ARG47
B	SER72
B	GLN73

site_id	BC3
Number of Residues	2
Details	BINDING SITE FOR RESIDUE EDO B 1010

Chain	Residue
B	PRO25
B	TYR51

site_id	BC4
Number of Residues	3
Details	BINDING SITE FOR RESIDUE EDO B 1011

Chain	Residue
B	LYS31
B	HOH1227
B	GLN27

site_id	BC5
Number of Residues	7
Details	BINDING SITE FOR RESIDUE EDO B 1012

Chain	Residue
B	LEU181
B	ILE263
B	ALA264
B	HIS266
B	LEU437
B	HOH1237
B	HOH1429

site_id	BC6
Number of Residues	7
Details	BINDING SITE FOR RESIDUE EDO A 1013

Chain	Residue
A	VAL26
A	PRO329
A	GLU435
A	THR436
A	LEU437
A	HOH1262
A	HOH1414

site_id	BC7
Number of Residues	3
Details	BINDING SITE FOR RESIDUE EDO A 1014

Chain	Residue
A	TRP90
A	HIS92
A	TYR334

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	2
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	2
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	2
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	3
Details	a catalytic site defined by CSA, PubMed 10051560

Chain	Residue	Details
A	THR268
A	CYS400
A	PHE393

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

		Sequence (fasta)
		PDBx/mmCIF
		PDBML format (no-atom)
		PDB format (full)
		Validation report (PDF)