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SummaryStructural detailsExperimental detailsFunctional detailsSequence NeighborHistoryDownloads

5XA3

Crystal Structure of P450BM3 with Benzyloxycarbonyl-L-prolyl-L-phenylalanine

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
Functional Information from PDB Data
site_idAC1
Number of Residues24
Detailsbinding site for residue HEM A 501
ChainResidue
ALYS69
APHE331
APRO392
APHE393
AGLY394
AARG398
AALA399
ACYS400
AILE401
ADMS502
APHQ503
ALEU86
AHOH604
AHOH615
AHOH630
AHOH637
AHOH686
APHE87
ATRP96
AILE153
AALA264
ATHR268
ATHR269
ATHR327
site_idAC2
Number of Residues5
Detailsbinding site for residue DMS A 502
ChainResidue
APHE87
AALA264
ATHR268
AALA328
AHEM501
site_idAC3
Number of Residues24
Detailsbinding site for residue HEM B 501
ChainResidue
BLYS69
BLEU86
BPHE87
BTRP96
BILE153
BALA264
BTHR268
BTHR269
BTHR327
BPHE331
BPRO392
BPHE393
BGLY394
BARG398
BALA399
BCYS400
BILE401
BDMS502
BPHQ503
BHOH604
BHOH621
BHOH628
BHOH639
BHOH675
site_idAC4
Number of Residues3
Detailsbinding site for residue DMS B 502
ChainResidue
BALA264
BTHR268
BHEM501
site_idAC5
Number of Residues25
Detailsbinding site for residue HEM C 501
ChainResidue
CLYS69
CLEU86
CPHE87
CTRP96
CILE153
CALA264
CTHR268
CTHR269
CTHR327
CPHE331
CPRO392
CPHE393
CGLY394
CARG398
CALA399
CCYS400
CILE401
CALA406
CDMS502
CPHQ503
CHOH626
CHOH627
CHOH636
CHOH658
CHOH662
site_idAC6
Number of Residues4
Detailsbinding site for residue DMS C 502
ChainResidue
CPHE87
CALA264
CTHR268
CHEM501
site_idAC7
Number of Residues25
Detailsbinding site for residue HEM D 501
ChainResidue
DALA399
DCYS400
DILE401
DGLY402
DDMS502
DPHQ503
DHOH608
DHOH625
DHOH633
DHOH638
DHOH699
DLYS69
DLEU86
DPHE87
DTRP96
DILE153
DALA264
DTHR268
DTHR269
DTHR327
DPHE331
DPRO392
DPHE393
DGLY394
DARG398
site_idAC8
Number of Residues4
Detailsbinding site for residue DMS D 502
ChainResidue
DPHE87
DALA264
DTHR268
DHEM501
site_idAC9
Number of Residues10
Detailsbinding site for Di-peptide PRO A 504 and PHQ A 503
ChainResidue
ATYR51
ASER72
AALA74
ALEU75
APHE87
AALA330
AMET354
ALEU437
AHEM501
APHE505
site_idAD1
Number of Residues8
Detailsbinding site for Di-peptide PRO A 504 and PHE A 505
ChainResidue
ALEU20
ATYR51
ASER72
AGLN73
AALA74
AMET354
APHQ503
AHOH609
site_idAD2
Number of Residues9
Detailsbinding site for Di-peptide PRO B 504 and PHQ B 503
ChainResidue
BTYR51
BSER72
BALA74
BLEU75
BPHE87
BALA330
BMET354
BHEM501
BPHE505
site_idAD3
Number of Residues8
Detailsbinding site for Di-peptide PRO B 504 and PHE B 505
ChainResidue
BLEU20
BTYR51
BSER72
BGLN73
BALA74
BLEU188
BMET354
BPHQ503
site_idAD4
Number of Residues8
Detailsbinding site for Di-peptide PRO C 504 and PHE C 505
ChainResidue
CLEU20
CTYR51
CSER72
CGLN73
CALA74
CMET354
CPHQ503
CHOH637
site_idAD5
Number of Residues8
Detailsbinding site for Di-peptide PRO C 504 and PHQ C 503
ChainResidue
CTYR51
CSER72
CALA74
CPHE87
CALA330
CMET354
CHEM501
CPHE505
site_idAD6
Number of Residues8
Detailsbinding site for Di-peptide PRO D 504 and PHE D 505
ChainResidue
DLEU20
DTYR51
DSER72
DGLN73
DALA74
DMET354
DPHQ503
DHOH616
site_idAD7
Number of Residues9
Detailsbinding site for Di-peptide PRO D 504 and PHQ D 503
ChainResidue
DTYR51
DSER72
DALA74
DLEU75
DPHE87
DALA330
DMET354
DHEM501
DPHE505
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 Residues4
DetailsBinding site: {"evidences":[{"source":"PubMed","id":"15020590","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1SMJ","evidenceCode":"ECO:0007744"}]}
ChainResidueDetails
site_idSWS_FT_FI2
Number of Residues4
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 Residues4
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

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PDB entries from 2025-12-03

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