Structure of PDB 6qzo Chain F Binding Site BS01

Receptor Information
>6qzo Chain F (length=361) Species: 1386082 (Cellulomonas bogoriensis 69B4 = DSM 16987) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AGPGDVVVPCHGEHQAGIVTPPPSFIALVALDLASTSDRASVERLLRVWT
VDIERLTTGRPGLADSEPELALVPAALTVTVGFGPGLLTAAGLRHRAPAW
LHPLPPFGIDRLDPAWCDGDVVLQVCADDRTTLAHAVRVLTKEAQGLASV
RWVQRGFRRSPGISEPDGTSMRNLMGQVEGTANLDPRTDPDLLWHRDGEP
GWLTGGTSMVVRRIAMNLDTWDELSRGAREATIGRTLRTGAPLTGRAEHD
EPDLEALDDHGRPVIDLEAHIRRARPTQREETFLRRAYNYDEAPPPGRAS
DSGLLFVTYQRDVDAQFTPVQRRLDAADLLNEWTFPVGSAVFAVPGGWSA
GEYVGQRLLEG
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 chain6qzo Chain F Residue 401 [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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PDB6qzo Characterization of a New DyP-Peroxidase from the Alkaliphilic Cellulomonad, Cellulomonas bogoriensis.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		Q199 V200 E201 G202 T203 A204 I236 H292 A296 R307 L326 F328 L346 L352
Binding residue
(residue number reindexed from 1)		Q177 V178 E179 G180 T181 A182 I214 H270 A274 R285 L304 F306 L324 L330
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
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:6qzo, PDBe:6qzo, PDBj:6qzo
PDBsum6qzo
PubMed30934796
UniProtA0A0A0BZU2

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