Structure of PDB 2iiz Chain A Binding Site BS01

Receptor Information
>2iiz Chain A (length=306) Species: 70863 (Shewanella oneidensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NMPREQLGVCAEGNLHSVYLMFNANDNVESQLRPCIANVAQYIYELTDQY
SDSAFNGFVAIGANYWDSLYPESRPEMLKPFPAMQEGNREAPAIEYDLFV
HLRCDRYDILHLVANEISQMFEDLVELVEEERGFRFMDSRDLTGFVDGTE
NPKGRHRQEVALVGSEDPEFKGGSYIHVQKYAHNLSKWHRLPLKKQEDII
GRTKQDNIEYESEDKPLTSHIKRVNLKDENGKSIEILRQSMPYGSLKEQG
LMFISTCRTPDHFEKMLHSMVFGDGAGNHDHLMHFTSALTGSSFFAPSLD
FLMQFD
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 chain2iiz Chain A Residue 400 [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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PDB2iiz Identification and structural characterization of heme binding in a novel dye-decolorizing peroxidase, TyrA.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		D145 V150 D151 G152 T153 E154 Y185 H224 I225 V228 R242 L255 F257 F267 M270 M274
Binding residue
(residue number reindexed from 1)		D141 V146 D147 G148 T149 E150 Y181 H220 I221 V224 R238 L251 F253 F263 M266 M270
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003674 molecular_function
GO:0004601 peroxidase activity
GO:0020037 heme binding
GO:0046872 metal ion binding
Biological Process
GO:0098869 cellular oxidant detoxification
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2iiz, PDBe:2iiz, PDBj:2iiz
PDBsum2iiz
PubMed17654547
UniProtQ8EIU4

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