Structure of PDB 1sox Chain A Binding Site BS02

Receptor Information
>1sox Chain A (length=463) Species: 9031 (Gallus gallus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SYPEYTREEVGRHRSPEERVWVTHGTDVFDVTDFVELHPGGPDKILLAAG
GALEPFWALYAVHGEPHVLELLQQYKVGELSPDEAPAPDAQDPFAGDPPR
HPGLRVNSQKPFNAEPPAELLAERFLTPNELFFTRNHLPVPAVEPSSYRL
RVDGPGGGTLSLSLAELRSRFPKHEVTATLQCAGNRRSEMSRVRPVKGLP
WDIGAISTARWGGARLRDVLLHAGFPEELQGEWHVCFEGLDADPGGAPYG
ASIPYGRALSPAADVLLAYEMNGTELPRDHGFPVRVVVPGVVGARSVKWL
RRVAVSPDESPSHWQQNDYKGFSPCVDWDTVDYRTAPAIQELPVQSAVTQ
PRPGAAVPPGELTVKGYAWSGGGREVVRVDVSLDGGRTWKVARLMGDKAP
PGRAWAWALWELTVPVEAGTELEIVCKAVDSSYNVQPDSVAPIWNLRGVL
STAWHRVRVSVQD
Ligand information
Ligand IDHEM
InChIInChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;
InChIKeyKABFMIBPWCXCRK-RGGAHWMASA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O
CACTVS 3.385CC1=C(CCC(O)=O)C2=Cc3n4[Fe]5|6|N2=C1C=c7n5c(=CC8=N|6C(=Cc4c(C)c3CCC(O)=O)C(=C8C=C)C)c(C)c7C=C
ACDLabs 12.01C=1c3c(c(c4C=C5C(=C(C=6C=C7C(=C(C8=CC=2C(=C(C=1N=2[Fe](n34)(N5=6)N78)CCC(=O)O)C)\C=C)C)\C=C)C)C)CCC(=O)O
FormulaC34 H32 Fe N4 O4
NamePROTOPORPHYRIN IX CONTAINING FE;
HEME
ChEMBL
DrugBankDB18267
ZINC
PDB chain1sox Chain A Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB1sox Molecular basis of sulfite oxidase deficiency from the structure of sulfite oxidase.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		F36 H40 P41 G42 K46 I47 F58 W59 Y62 V64 H65
Binding residue
(residue number reindexed from 1)		F34 H38 P39 G40 K44 I45 F56 W57 Y60 V62 H63
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H40 H65 R138 C185 D321 Y322
Catalytic site (residue number reindexed from 1) H38 H63 R135 C182 D318 Y319
Enzyme Commision number 1.8.3.1: sulfite oxidase.
Gene Ontology
Molecular Function
GO:0008482 sulfite oxidase activity
GO:0016491 oxidoreductase activity
GO:0020037 heme binding
GO:0030151 molybdenum ion binding
GO:0043546 molybdopterin cofactor binding
GO:0046872 metal ion binding
Biological Process
GO:0006790 sulfur compound metabolic process
Cellular Component
GO:0005739 mitochondrion
GO:0005758 mitochondrial intermembrane space

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1sox, PDBe:1sox, PDBj:1sox
PDBsum1sox
PubMed9428520
UniProtP07850|SUOX_CHICK Sulfite oxidase (Gene Name=SUOX)

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