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SummaryStructural detailsExperimental detailsFunctional detailsSequence NeighborHistoryDownloads

5JQV

Crystal structure of Cytochrome P450 BM3 heme domain T269V/L272W/L322I/A406S (WIVS) variant with iron(III) deuteroporphyrin IX bound

Functional Information from GO Data
ChainGOidnamespacecontents
A0004497molecular_functionmonooxygenase activity
A0005506molecular_functioniron ion binding
A0016705molecular_functionoxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
A0020037molecular_functionheme binding
B0004497molecular_functionmonooxygenase activity
B0005506molecular_functioniron ion binding
B0016705molecular_functionoxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
B0020037molecular_functionheme binding
C0004497molecular_functionmonooxygenase activity
C0005506molecular_functioniron ion binding
C0016705molecular_functionoxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
C0020037molecular_functionheme binding
D0004497molecular_functionmonooxygenase activity
D0005506molecular_functioniron ion binding
D0016705molecular_functionoxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
D0020037molecular_functionheme binding
E0004497molecular_functionmonooxygenase activity
E0005506molecular_functioniron ion binding
E0016705molecular_functionoxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
E0020037molecular_functionheme binding
F0004497molecular_functionmonooxygenase activity
F0005506molecular_functioniron ion binding
F0016705molecular_functionoxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
F0020037molecular_functionheme binding
G0004497molecular_functionmonooxygenase activity
G0005506molecular_functioniron ion binding
G0016705molecular_functionoxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
G0020037molecular_functionheme binding
H0004497molecular_functionmonooxygenase activity
H0005506molecular_functioniron ion binding
H0016705molecular_functionoxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
H0020037molecular_functionheme binding
Functional Information from PDB Data
site_idAC1
Number of Residues22
Detailsbinding site for residue FDE A 501
ChainResidue
ALYS69
APHE393
AGLY394
AARG398
AALA399
ACYS400
AILE401
ASER406
AHOH603
AHOH616
AHOH643
ALEU86
AHOH648
AHOH654
AHOH697
APHE87
ATRP96
APHE261
AALA264
AGLY265
ATHR268
APHE331
site_idAC2
Number of Residues23
Detailsbinding site for residue FDE B 501
ChainResidue
BLYS69
BLEU86
BPHE87
BTRP96
BALA264
BGLY265
BTHR268
BPHE331
BPRO392
BPHE393
BGLY394
BARG398
BALA399
BCYS400
BILE401
BSER406
BHOH606
BHOH628
BHOH629
BHOH630
BHOH641
BHOH709
BHOH731
site_idAC3
Number of Residues21
Detailsbinding site for residue FDE C 501
ChainResidue
CLYS69
CPHE87
CTRP96
CALA264
CGLY265
CTHR268
CTRP272
CPHE331
CPRO392
CPHE393
CGLY394
CARG398
CALA399
CCYS400
CILE401
CSER406
CHOH617
CHOH620
CHOH640
CHOH661
CHOH683
site_idAC4
Number of Residues20
Detailsbinding site for residue FDE D 501
ChainResidue
DLYS69
DLEU86
DPHE87
DTRP96
DPHE261
DALA264
DGLY265
DTHR268
DALA328
DPHE331
DPRO392
DPHE393
DGLY394
DARG398
DCYS400
DILE401
DSER406
DHOH616
DHOH618
DHOH628
site_idAC5
Number of Residues24
Detailsbinding site for residue FDE E 501
ChainResidue
EARG398
EALA399
ECYS400
EILE401
ESER406
EHOH630
EHOH634
EHOH636
EHOH658
EHOH674
EHOH728
ELYS69
ELEU75
ELEU86
EPHE87
ETRP96
EPHE261
EALA264
EGLY265
ETHR268
ETRP272
EPHE331
EPHE393
EGLY394
site_idAC6
Number of Residues21
Detailsbinding site for residue FDE F 501
ChainResidue
FLYS69
FLEU86
FPHE87
FTRP96
FALA264
FGLY265
FTHR268
FTRP272
FALA328
FPHE331
FPRO392
FGLY394
FARG398
FALA399
FCYS400
FILE401
FSER406
FHOH608
FHOH622
FHOH628
FHOH640
site_idAC7
Number of Residues22
Detailsbinding site for residue FDE G 501
ChainResidue
GLYS69
GLEU86
GPHE87
GTRP96
GALA264
GGLY265
GTHR268
GPHE331
GPHE393
GGLY394
GARG398
GALA399
GCYS400
GILE401
GSER406
GHOH609
GHOH624
GHOH626
GHOH627
GHOH634
GHOH642
GHOH660
site_idAC8
Number of Residues25
Detailsbinding site for residue FDE H 501
ChainResidue
HLYS69
HLEU86
HPHE87
HTRP96
HPHE261
HALA264
HGLY265
HTHR268
HTRP272
HPHE331
HPRO392
HPHE393
HGLY394
HARG398
HALA399
HCYS400
HILE401
HSER406
HHOH623
HHOH626
HHOH628
HHOH643
HHOH644
HHOH686
HHOH702
Functional Information from PROSITE/UniProt
site_idPS00086
Number of Residues10
DetailsCYTOCHROME_P450 Cytochrome P450 cysteine heme-iron ligand signature. FGnGQRACIG
ChainResidueDetails
APHE393-GLY402
Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues8
DetailsBinding site: {"evidences":[{"source":"PubMed","id":"15020590","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1SMJ","evidenceCode":"ECO:0007744"}]}
ChainResidueDetails
site_idSWS_FT_FI2
Number of Residues8
DetailsBinding 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"}]}
ChainResidueDetails
site_idSWS_FT_FI3
Number of Residues8
DetailsSite: {"description":"Important for catalytic activity","evidences":[{"source":"PubMed","id":"16403573","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"7578081","evidenceCode":"ECO:0000305"}]}
ChainResidueDetails
Catalytic Information from CSA
site_idMCSA1
Number of Residues3
DetailsM-CSA 699
ChainResidueDetails
ATHR268electrostatic stabiliser, steric role
APHE393electrostatic stabiliser, steric role
ACYS400electrostatic stabiliser
site_idMCSA2
Number of Residues3
DetailsM-CSA 699
ChainResidueDetails
BTHR268electrostatic stabiliser, steric role
BPHE393electrostatic stabiliser, steric role
BCYS400electrostatic stabiliser
site_idMCSA3
Number of Residues3
DetailsM-CSA 699
ChainResidueDetails
CTHR268electrostatic stabiliser, steric role
CPHE393electrostatic stabiliser, steric role
CCYS400electrostatic stabiliser
site_idMCSA4
Number of Residues3
DetailsM-CSA 699
ChainResidueDetails
DTHR268electrostatic stabiliser, steric role
DPHE393electrostatic stabiliser, steric role
DCYS400electrostatic stabiliser
site_idMCSA5
Number of Residues3
DetailsM-CSA 699
ChainResidueDetails
ETHR268electrostatic stabiliser, steric role
EPHE393electrostatic stabiliser, steric role
ECYS400electrostatic stabiliser
site_idMCSA6
Number of Residues3
DetailsM-CSA 699
ChainResidueDetails
FTHR268electrostatic stabiliser, steric role
FPHE393electrostatic stabiliser, steric role
FCYS400electrostatic stabiliser
site_idMCSA7
Number of Residues3
DetailsM-CSA 699
ChainResidueDetails
GTHR268electrostatic stabiliser, steric role
GPHE393electrostatic stabiliser, steric role
GCYS400electrostatic stabiliser
site_idMCSA8
Number of Residues3
DetailsM-CSA 699
ChainResidueDetails
HTHR268electrostatic stabiliser, steric role
HPHE393electrostatic stabiliser, steric role
HCYS400electrostatic stabiliser

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PDB entries from 2026-01-21

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