Structure of PDB 2vxh Chain C Binding Site BS01

Receptor Information
>2vxh Chain C (length=228) Species: 146939 (Azospira oryzae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ERGTILTQPGVFGVFTMFKLRPDWNKVPAMERKGAAEEVKKLIEKHKDNV
LVDLYLTRGLETNSDFFFRINAYDLAKAQTFMREFRSTTIGKNADVFETL
VGVTKPLNYISKDKSPGLNAGLSSATYSGPAPRYVIVIPVKKNAEWWNMS
PEERLKEMEVHTTPTLAYLVNVKRKLYHSTGLDDTDFITYFETDDLTAFN
NLMLSLAQSPTTLGTIHSPEDVIKALAD
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 chain2vxh Chain C Residue 1001 [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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PDB2vxh Crystal Structure of Chlorite Dismutase, a Detoxifying Enzyme Producing Molecular Oxygen
Resolution2.1 Å
Binding residue
(original residue number in PDB)		L116 N117 Y118 I119 V149 K151 W155 M167 H170 T174 L178 R183 L185 F196 T198 F200 L211 L215
Binding residue
(residue number reindexed from 1)		L107 N108 Y109 I110 V140 K142 W146 M158 H161 T165 L169 R174 L176 F187 T189 F191 L202 L206
Annotation score1
Enzymatic activity
Enzyme Commision number 1.13.11.49: chlorite O2-lyase.
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0020037 heme binding
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:2vxh, PDBe:2vxh, PDBj:2vxh
PDBsum2vxh
PubMed19361444
UniProtE2DI02

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