Structure of PDB 6o0a Chain A Binding Site BS02

Receptor Information
>6o0a Chain A (length=383) Species: 253288 (Malassezia yamatoensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SGLSTKSQPVIQATLPVIAERIPHITPVFYGDMLQARPDLLDGMFSRSAQ
RDGTQARALAGSIAIFAQWILQHPNTFPEEMLSRVANKHASLGLQPDEYD
TVYKYLFGAIAKDLGDAATPDIVEAWTEVYWLLARALINLERKLYAQQAN
NIVRAKFKLVKRTQVTKDVVDMVFEPADNTAMTPGKAGQYISIYARTSDG
LLQPRQFTLLPSEETQRRIAIKLDPHGEMTTIFQNQEVGALLDISNPYGD
MTLETLETDPNSPLVLICAGIGVTPVLAFVEKLAAQKSEREVMIIASSRS
LAEAPLRGELLERAKELKKAKVLYGTTQEKDGDFVGRIDVSTLDIPANAS
VFLCGPLKFMQEMRSHLVEAGIAKHKIFYEIFG
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 chain6o0a Chain A Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6o0a HGT in the human and skin commensal Malassezia : A bacterially derived flavohemoglobin is required for NO resistance and host interaction.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		M43 F44 S45 L58 S61 R83 V84 H88 L91 L93 E97 Y98 V101 Y129 L132
Binding residue
(residue number reindexed from 1)		M44 F45 S46 L59 S62 R84 V85 H89 L92 L94 E98 Y99 V102 Y130 L133
Annotation score1
Enzymatic activity
Enzyme Commision number 1.14.12.17: nitric oxide dioxygenase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0008941 nitric oxide dioxygenase NAD(P)H activity
GO:0016491 oxidoreductase activity
GO:0019825 oxygen binding
GO:0020037 heme binding
GO:0046872 metal ion binding
GO:0071949 FAD binding
Biological Process
GO:0046210 nitric oxide catabolic process
GO:0062197 cellular response to chemical stress
GO:0071500 cellular response to nitrosative stress

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6o0a, PDBe:6o0a, PDBj:6o0a
PDBsum6o0a
PubMed32576698
UniProtA0A4V8H045

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