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5LI7

Crystal structure of Mycobacterium tuberculosis CYP126A1 in complex with 1-(3-(1H-imidazol-1-yl)propyl)-3-((3s,5s,7s)-adamantan-1-yl)urea

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
ALYS303
AARG305
AGLY355
APHE356
AGLY357
AHIS361
ACYS363
AGLY365
AALA369
A6XD502
AASN96
AHOH678
AHOH777
AHOH848
AHIS103
AARG107
AMET157
AALA253
ATHR257
ATHR258
ASER261

site_idAC2
Number of Residues8
Detailsbinding site for residue 6XD A 502
ChainResidue
AASN96
AHIS248
ALEU249
ASER252
AALA253
ATHR257
AHEM501
AHOH714

site_idAC3
Number of Residues22
Detailsbinding site for residue HEM B 501
ChainResidue
BLEU95
BASN96
BHIS103
BARG107
BMET157
BALA253
BTHR257
BTHR258
BSER261
BLYS303
BARG305
BGLY355
BPHE356
BGLY357
BHIS361
BCYS363
BGLY365
BALA369
B6XD502
BHOH671
BHOH807
BHOH840

site_idAC4
Number of Residues8
Detailsbinding site for residue 6XD B 502
ChainResidue
BASN96
BHIS248
BLEU249
BSER252
BALA253
BTHR257
BHEM501
BHOH670

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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