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3NA1

Crystal structure of human CYP11A1 in complex with 20-hydroxycholesterol

Functional Information from GO Data
ChainGOidnamespacecontents
A0004497molecular_functionmonooxygenase activity
A0005506molecular_functioniron ion binding
A0005515molecular_functionprotein binding
A0005739cellular_componentmitochondrion
A0005743cellular_componentmitochondrial inner membrane
A0005759cellular_componentmitochondrial matrix
A0006694biological_processsteroid biosynthetic process
A0006700biological_processC21-steroid hormone biosynthetic process
A0006704biological_processglucocorticoid biosynthetic process
A0008203biological_processcholesterol metabolic process
A0008207biological_processC21-steroid hormone metabolic process
A0008386molecular_functioncholesterol monooxygenase (side-chain-cleaving) activity
A0008395molecular_functionsteroid hydroxylase activity
A0016125biological_processsterol metabolic process
A0016705molecular_functionoxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
A0020037molecular_functionheme binding
A0034650biological_processcortisol metabolic process
A0042359biological_processvitamin D metabolic process
A0042446biological_processhormone biosynthetic process
A0046872molecular_functionmetal ion binding
A0071375biological_processcellular response to peptide hormone stimulus
A1901615biological_processorganic hydroxy compound metabolic process
B0004497molecular_functionmonooxygenase activity
B0005506molecular_functioniron ion binding
B0005515molecular_functionprotein binding
B0005739cellular_componentmitochondrion
B0005743cellular_componentmitochondrial inner membrane
B0005759cellular_componentmitochondrial matrix
B0006694biological_processsteroid biosynthetic process
B0006700biological_processC21-steroid hormone biosynthetic process
B0006704biological_processglucocorticoid biosynthetic process
B0008203biological_processcholesterol metabolic process
B0008207biological_processC21-steroid hormone metabolic process
B0008386molecular_functioncholesterol monooxygenase (side-chain-cleaving) activity
B0008395molecular_functionsteroid hydroxylase activity
B0016125biological_processsterol metabolic process
B0016705molecular_functionoxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
B0020037molecular_functionheme binding
B0034650biological_processcortisol metabolic process
B0042359biological_processvitamin D metabolic process
B0042446biological_processhormone biosynthetic process
B0046872molecular_functionmetal ion binding
B0071375biological_processcellular response to peptide hormone stimulus
B1901615biological_processorganic hydroxy compound metabolic process
C0051536molecular_functioniron-sulfur cluster binding
C0051537molecular_function2 iron, 2 sulfur cluster binding
C0140647biological_processP450-containing electron transport chain
D0051536molecular_functioniron-sulfur cluster binding
D0051537molecular_function2 iron, 2 sulfur cluster binding
D0140647biological_processP450-containing electron transport chain
Functional Information from PDB Data
site_idAC1
Number of Residues24
DetailsBINDING SITE FOR RESIDUE HEM A 601
ChainResidue
AARG81
ATHR295
ALEU346
AARG357
AGLY415
APHE416
AGLY417
ATRP418
AARG421
AGLN422
ACYS423
AVAL100
AGLY425
AMET433
AHOH558
AHCD602
AHOH759
ATRP108
AARG112
AMET284
AGLY287
AGLY288
ATHR291
ATHR292

site_idAC2
Number of Residues12
DetailsBINDING SITE FOR RESIDUE HCD A 602
ChainResidue
APHE82
ALEU101
AMET201
AGLU283
ASER352
ATHR354
AGLN356
ALEU460
AHOH516
AHOH584
AHEM601
AHOH759

site_idAC3
Number of Residues25
DetailsBINDING SITE FOR RESIDUE HEM B 601
ChainResidue
BARG81
BVAL100
BTRP108
BARG112
BMET284
BGLY287
BGLY288
BTHR291
BTHR292
BTHR295
BLEU346
BSER352
BARG357
BGLY415
BPHE416
BGLY417
BTRP418
BARG421
BGLN422
BCYS423
BGLY425
BMET433
BHOH521
BHCD602
BHOH755

site_idAC4
Number of Residues9
DetailsBINDING SITE FOR RESIDUE HCD B 602
ChainResidue
BPHE82
BSER352
BTHR354
BGLN356
BLEU460
BHOH563
BHEM601
BHOH608
BHOH755

site_idAC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE FES C 150
ChainResidue
CCYS46
CGLY48
CCYS52
CCYS55
CCYS92

site_idAC6
Number of Residues5
DetailsBINDING SITE FOR RESIDUE FES D 151
ChainResidue
DCYS46
DGLY48
DCYS52
DCYS55
DCYS92

Functional Information from PROSITE/UniProt
site_idPS00086
Number of Residues10
DetailsCYTOCHROME_P450 Cytochrome P450 cysteine heme-iron ligand signature. FGwGVRQCLG
ChainResidueDetails
APHE416-GLY425

site_idPS00814
Number of Residues11
DetailsADX Adrenodoxin family, iron-sulfur binding region signature. CegTlACSTCH
ChainResidueDetails
CCYS46-HIS56

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues8
DetailsBINDING:
ChainResidueDetails
CCYS46
CCYS52
CCYS55
CCYS92
DCYS46
DCYS52
DCYS55
DCYS92

site_idSWS_FT_FI2
Number of Residues2
DetailsMOD_RES: Phosphoserine => ECO:0000250|UniProtKB:P46656
ChainResidueDetails
CSER3
DSER3

site_idSWS_FT_FI3
Number of Residues2
DetailsMOD_RES: N6-succinyllysine; alternate => ECO:0000250|UniProtKB:P46656
ChainResidueDetails
CLYS6
DLYS6

site_idSWS_FT_FI4
Number of Residues2
DetailsMOD_RES: N6-succinyllysine => ECO:0000250|UniProtKB:P46656
ChainResidueDetails
CLYS98
DLYS98

site_idSWS_FT_FI5
Number of Residues2
DetailsMOD_RES: Phosphoserine => ECO:0007744|PubMed:23186163
ChainResidueDetails
CSER117
DSER117

224201

PDB entries from 2024-08-28

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