Structure of PDB 6fsk Chain B Binding Site BS01

Receptor Information
>6fsk Chain B (length=484) Species: 1137138 (Pleurotus ostreatus PC15) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PPLDLNNIQGDILGGLPKRTETYFFFDVTNVDQFKANMAHFIPHIKTSAG
IIKDREAIKEHKRQKKPGLVPMAAVNVSFSHLGLQKLGITDDLSDNAFTT
GQRKDAEILGDPGSKNGDAFTPAWEAPFLKDIHGVIFVAGDCHGSVNKKL
DEIKHIFGVGTSHASISEVTHVRGDVRPGDVHAHEHFGYLDGISHPAVEQ
FDQNPLPGQDPIRPGFILAKENGDSRAAARPDWAKDGSFLTFRYLFQMVP
EFDDFLESNPIVLPGLSRKEGSELLGARIVGRWKSGAPIEITPLKDDPKL
AADAQRNNKFDFGDSLVRGDQTKCPFAAHIRKTYPRNDLEGPPLKADIDN
RRIIRRGIQFGPEVTSQEHHDKKTHHGRGLLFVCYSSSIDDGFHFIQESW
ANAPNFPVNAVTSAGPIPPLDGVVPGFDAIIGQKVGGGIRQISGTNPNDP
TTNITLPDQDFVVPRGGEYFFSPSITALKTKFAI
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 chain6fsk Chain B Residue 501 [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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PDB6fsk Description of a non-canonical Mn(II)-oxidation site in peroxidases
Resolution1.56 Å
Binding residue
(original residue number in PDB)		E190 L195 D196 G197 I198 S199 Q252 H334 T338 Y339 R341 R360 L385 F387 F398 I436
Binding residue
(residue number reindexed from 1)		E185 L190 D191 G192 I193 S194 Q247 H329 T333 Y334 R336 R355 L380 F382 F393 I431
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:6fsk, PDBe:6fsk, PDBj:6fsk
PDBsum6fsk
PubMed
UniProtA0A067N4E7

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