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4UHI

HUMAN STEROL 14-ALPHA DEMETHYLASE (CYP51) IN COMPLEX WITH VFV IN C121 SPACE GROUP

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 Residues19
DetailsBINDING SITE FOR RESIDUE HEM A 540
ChainResidue
ATYR145
APRO441
APHE442
AGLY443
AHIS447
ACYS449
AILE450
AGLY451
AALA455
AVFV580
AHOH2203
APHE152
ALYS156
AALA311
ATHR315
APRO376
AILE377
AMET380
AARG382

site_idAC2
Number of Residues17
DetailsBINDING SITE FOR RESIDUE VFV A 580
ChainResidue
ATYR131
ALEU134
ATHR135
APHE139
APHE152
ALEU159
APHE234
ATRP239
AMET304
AGLY307
ALEU308
ALEU310
AALA311
AILE377
AMET487
AHEM540
AVFV600

site_idAC3
Number of Residues15
DetailsBINDING SITE FOR RESIDUE VFV A 600
ChainResidue
APHE77
AMET100
AVAL101
APHE105
ATYR107
AHIS236
ATRP239
AILE379
AMET381
AVFV580
AHOH2117
AHOH2222
BLEU245
BPRO246
BLEU247

site_idAC4
Number of Residues17
DetailsBINDING SITE FOR RESIDUE HEM B 540
ChainResidue
BTYR145
BPHE152
BLYS156
BALA311
BTHR315
BPRO376
BILE377
BMET380
BARG382
BPRO441
BPHE442
BGLY443
BHIS447
BCYS449
BGLY451
BVFV580
BHOH2047

site_idAC5
Number of Residues18
DetailsBINDING SITE FOR RESIDUE VFV B 580
ChainResidue
BTYR131
BLEU134
BPHE139
BALA144
BLEU159
BPHE234
BSER235
BHIS236
BTRP239
BMET304
BGLY307
BLEU308
BALA311
BTHR315
BILE377
BHEM540
BVFV600
BHOH2040

site_idAC6
Number of Residues16
DetailsBINDING SITE FOR RESIDUE VFV B 600
ChainResidue
BHOH2092
BHOH2179
BHOH2180
ALEU245
APRO246
ALEU247
BPHE77
BMET100
BVAL101
BPHE105
BTYR107
BHIS236
BTRP239
BILE379
BMET381
BVFV580

site_idAC7
Number of Residues20
DetailsBINDING SITE FOR RESIDUE HEM C 540
ChainResidue
CTYR145
CPHE152
CLYS156
CALA311
CTHR315
CPRO376
CILE377
CMET380
CARG382
CPRO441
CPHE442
CGLY443
CHIS447
CCYS449
CILE450
CGLY451
CALA455
CVFV580
CHOH2028
CHOH2115

site_idAC8
Number of Residues16
DetailsBINDING SITE FOR RESIDUE VFV C 580
ChainResidue
CTYR131
CLEU134
CPHE139
CALA144
CPHE152
CLEU159
CPHE234
CTRP239
CMET304
CGLY307
CLEU310
CALA311
CTHR315
CILE377
CHEM540
CVFV600

site_idAC9
Number of Residues14
DetailsBINDING SITE FOR RESIDUE VFV C 600
ChainResidue
CPHE77
CMET100
CVAL101
CPHE105
CTYR107
CHIS236
CTRP239
CILE379
CMET381
CILE488
CVFV580
CHOH2131
DPRO246
DLEU247

site_idBC1
Number of Residues19
DetailsBINDING SITE FOR RESIDUE HEM D 540
ChainResidue
DTYR145
DPHE152
DLYS156
DALA311
DGLY312
DTHR315
DPRO376
DILE377
DMET380
DARG382
DPRO441
DPHE442
DGLY443
DHIS447
DCYS449
DILE450
DGLY451
DALA455
DVFV580

site_idBC2
Number of Residues14
DetailsBINDING SITE FOR RESIDUE VFV D 580
ChainResidue
DLEU134
DPHE139
DLEU159
DPHE234
DTRP239
DMET304
DGLY307
DLEU308
DLEU310
DALA311
DILE377
DHEM540
DVFV600
DHOH2120

site_idBC3
Number of Residues16
DetailsBINDING SITE FOR RESIDUE VFV D 600
ChainResidue
CLEU245
CPRO246
CLEU247
DPHE77
DMET100
DVAL101
DPHE105
DTYR107
DHIS236
DTRP239
DLEU240
DILE379
DMET381
DILE488
DVFV580
DHOH2121

Functional Information from PROSITE/UniProt
site_idPS00086
Number of Residues10
DetailsCYTOCHROME_P450 Cytochrome P450 cysteine heme-iron ligand signature. FGaGRHRCIG
ChainResidueDetails
APHE442-GLY451

site_idPS00134
Number of Residues6
DetailsTRYPSIN_HIS Serine proteases, trypsin family, histidine active site. LTASHC
ChainResidueDetails
ALEU204-CYS209

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues4
DetailsBINDING: axial binding residue => ECO:0000269|PubMed:20149798
ChainResidueDetails
AALA455
BALA455
CALA455
DALA455

218853

PDB entries from 2024-04-24

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