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Structure of PDB 1a4e Chain B Binding Site BS02

Receptor Information >1a4e Chain B (length=488) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] DVREDRVVTNSTGNPINEPFVTQRIGEHGPLLLQDYNLIDSLAHFNRENI PQRNPHAHGSGAFGYFEVTDDITDICGSAMFSKIGKRTKCLTRFSTVGGD KGSADTVRDPRGFATKFYTEEGNLDWVYNNTPVFFIRDPSKFPHFIHTQK RNPQTNLRDADMFWDFLTTPENQVAIHQVMILFSDRGTPANYRSMHGYSG HTYKWSNKNGDWHYVQVHIKTDQGIKNLTIEEATKIAGSNPDYCQQDLFE AIQNGNYPSWTVYIQTMTERDAKKLPFSVFDLTKVWPQGQFPLRRVGKIV LNENPLNFFAQVEQAAFAPSTTVPYQEASADPVLQARLFSYADAHRYRLG PNFHQIPVNCPYASKFFNPAIRDGPMNVNGNFGSEPTYLANDKSYTYIQQ DRPIQQHQEVWNGPAIPYHWATSPGDVDFVQARNLYRVLGKQPGQQKNLA YNIGIHVEGACPQIQQRVYDMFARVDKGLSEAIKKVAE

Ligand information Ligand ID HEM InChI InChI=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-; InChIKey KABFMIBPWCXCRK-RGGAHWMASA-L SMILES Software SMILES OpenEye OEToolkits 1.7.6 Cc1c2n3c(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 3.385 CC1=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 12.01 C=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 Formula C34 H32 Fe N4 O4 Name PROTOPORPHYRIN IX CONTAINING FE; HEME ChEMBL DrugBank DB18267 ZINC PDB chain 1a4e Chain B Residue 503 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure Global view Local view Structure summary [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] PDB 1a4e Structure of catalase-A from Saccharomyces cerevisiae. Resolution 2.4 Å Binding residue (original residue number in PDB) R67 N68 H70 R107 V141 N143 F148 F156 H215 F331 V347 R351 S354 Y355 H359 R362 Binding residue (residue number reindexed from 1) R53 N54 H56 R93 V127 N129 F134 F142 H201 F317 V333 R337 S340 Y341 H345 R348 Annotation score 1

Enzymatic activity Catalytic site (original residue number in PDB) H70 N143 A332 Catalytic site (residue number reindexed from 1) H56 N129 A318 Enzyme Commision number 1.11.1.6: catalase.

Gene Ontology Molecular Function GO:0004096 catalase activity GO:0004601 peroxidase activity GO:0005515 protein binding GO:0020037 heme binding GO:0046872 metal ion binding

	Biological Process
GO:0000302	response to reactive oxygen species
GO:0006979	response to oxidative stress
GO:0042542	response to hydrogen peroxide
GO:0042744	hydrogen peroxide catabolic process
GO:0098869	cellular oxidant detoxification

	Cellular Component
GO:0005737	cytoplasm
GO:0005739	mitochondrion
GO:0005759	mitochondrial matrix
GO:0005777	peroxisome
GO:0005782	peroxisomal matrix

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