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5LI6

Crystal structure of Mycobacterium tuberculosis CYP126A1 in complex with N-isopropyl-N-((3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl)methyl)-2-(4-nitrophenyl)acetamide

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
A0046872molecular_functionmetal ion 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
B0046872molecular_functionmetal ion binding
Functional Information from PDB Data
site_idAC1
Number of Residues22
Detailsbinding site for residue HEM A 501
ChainResidue
ALEU95
AARG305
AGLY355
APHE356
AGLY357
AHIS361
ACYS363
AGLY365
AALA369
A6XF502
AHOH655
AASN96
AHOH665
AHOH718
AHOH855
AHIS103
AARG107
AMET157
ATHR257
ATHR258
APRO299
ALYS303

site_idAC2
Number of Residues13
Detailsbinding site for residue 6XF A 502
ChainResidue
AVAL84
AVAL90
AASN96
AMET97
ALEU249
ALEU250
AALA253
AGLY254
ASER300
ALYS303
AARG400
AHEM501
AHOH718

site_idAC3
Number of Residues18
Detailsbinding site for residue HEM B 501
ChainResidue
BLEU95
BASN96
BHIS103
BARG107
BTHR257
BTHR258
BLYS303
BARG305
BGLY355
BPHE356
BGLY357
BHIS361
BCYS363
BGLY365
BALA369
B6XF502
BHOH627
BHOH666

site_idAC4
Number of Residues12
Detailsbinding site for residue 6XF B 502
ChainResidue
BVAL84
BASN96
BMET97
BLEU249
BALA253
BGLY254
BSER300
BLYS303
BARG400
BHIS401
BHEM501
BHOH627

Functional Information from PROSITE/UniProt
site_idPS00086
Number of Residues10
DetailsCYTOCHROME_P450 Cytochrome P450 cysteine heme-iron ligand signature. FGqGVHYCLG
ChainResidueDetails
APHE356-GLY365

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues2
DetailsBINDING: axial binding residue => ECO:0000250
ChainResidueDetails
ACYS363
BCYS363

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PDB entries from 2024-07-10

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