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SummaryStructural detailsExperimental detailsFunctional detailsSequence NeighborHistoryDownloads

5JQU

Crystal structure of Cytochrome P450 BM3 heme domain G265F/T269V/L272W/L322I/F405M/A406S (WIVS-FM) 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 Residues21
Detailsbinding site for residue FDE A 501
ChainResidue
ALYS69
AGLY394
AARG398
ACYS400
AILE401
ASER406
AHOH619
AHOH637
AHOH642
AHOH647
AHOH659
ALEU75
AHOH673
AHOH675
ALEU86
APHE87
ATRP96
APHE261
ATHR268
APHE331
APHE393
site_idAC2
Number of Residues18
Detailsbinding site for residue FDE B 501
ChainResidue
BLYS69
BLEU86
BPHE87
BTRP96
BPHE261
BALA264
BTHR268
BTRP272
BPHE331
BPRO392
BGLY394
BARG398
BCYS400
BILE401
BSER406
BHOH640
BHOH646
BHOH675
site_idAC3
Number of Residues22
Detailsbinding site for residue FDE C 501
ChainResidue
CLYS69
CLEU86
CPHE87
CTRP96
CTHR268
CTRP272
CALA328
CPHE331
CPRO392
CPHE393
CGLY394
CARG398
CALA399
CCYS400
CILE401
CSER406
CHOH605
CHOH622
CHOH635
CHOH685
CHOH698
CHOH745
site_idAC4
Number of Residues19
Detailsbinding site for residue FDE D 501
ChainResidue
DLYS69
DLEU86
DPHE87
DTRP96
DPHE261
DTHR268
DTRP272
DALA328
DPHE331
DPRO392
DPHE393
DGLY394
DARG398
DCYS400
DILE401
DSER406
DHOH608
DHOH622
DHOH631
site_idAC5
Number of Residues20
Detailsbinding site for residue FDE E 501
ChainResidue
EHOH666
ELYS69
ELEU86
EPHE87
ETRP96
EPHE261
ETHR268
EPHE331
EPRO392
EPHE393
EGLY394
EGLN397
EARG398
EALA399
ECYS400
EILE401
ESER406
EHOH637
EHOH664
EHOH665
site_idAC6
Number of Residues20
Detailsbinding site for residue FDE F 501
ChainResidue
FLYS69
FLEU86
FPHE87
FTRP96
FTHR268
FALA328
FPHE331
FPRO392
FPHE393
FGLY394
FARG398
FALA399
FCYS400
FILE401
FSER406
FHOH614
FHOH632
FHOH644
FHOH646
FHOH657
site_idAC7
Number of Residues21
Detailsbinding site for residue FDE G 501
ChainResidue
GLYS69
GLEU86
GPHE87
GTRP96
GPHE265
GTHR268
GTRP272
GPHE331
GPRO392
GPHE393
GGLY394
GARG398
GCYS400
GILE401
GSER406
GHOH615
GHOH616
GHOH633
GHOH634
GHOH643
GHOH657
site_idAC8
Number of Residues23
Detailsbinding site for residue FDE H 501
ChainResidue
HLYS69
HLEU86
HPHE87
HTRP96
HPHE261
HPHE265
HTHR268
HTRP272
HALA328
HPHE331
HPRO392
HPHE393
HGLY394
HARG398
HALA399
HCYS400
HILE401
HSER406
HHOH624
HHOH627
HHOH651
HHOH667
HHOH670
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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