Structure of PDB 1m7s Chain A Binding Site BS01

Receptor Information
>1m7s Chain A (length=484) Species: 317 (Pseudomonas syringae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TDTLTRDNGAVVGDNQNSQTAGAQGPVLLQDVQLLQKLQRFDRERIPERV
VHARGTGVKGEFTASADISDLSKATVFKSGEKTPVFVRFSSVVHGNHSPE
TLRDPHGFATKFYTADGNWDLVGNNFPTFFIRDAIKFPDMVHAFKPDPRT
NLDNDSRRFDFFSHVPEATRTLTLLYSNEGTPAGYRFMDGNGVHAYKLVN
AKGEVHYVKFHWKSLQGIKNLDPKEVAQVQSKDYSHLTNDLVGAIKKGDF
PKWDLYVQVLKPEELAKFDFDPLDATKIWPDVPEKKIGQMVLNKNVDNFF
QETEQVAMAPANLVPGIEPSEDRLLQGRVFSYADTQMYRLGANGLSLPVN
QPKVAVNNGNQDGALNTGHTTSGVNYEPSRLEPRPADDKARYSELPLSGT
TQQAKITREQNFKQAGDLYRSYSAKEKTDLVQKFGESLADTLTESKNIML
SYLYKEDPNYGTRVAEVAKGDLSKVKSLAASLKD
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 chain1m7s Chain A Residue 600 [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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PDB1m7s Structure of the Clade 1 catalase, CatF of Pseudomonas syringae, at 1.8 A resolution
Resolution1.8 Å
Binding residue
(original residue number in PDB)		R75 V77 H78 R114 V148 G149 N150 F155 F163 V219 H220 M334 L350 G353 R354 S357 Y358 T361 Q362 R365
Binding residue
(residue number reindexed from 1)		R49 V51 H52 R88 V122 G123 N124 F129 F137 V193 H194 M308 L324 G327 R328 S331 Y332 T335 Q336 R339
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H78 N150 A335
Catalytic site (residue number reindexed from 1) H52 N124 A309
Enzyme Commision number 1.11.1.6: catalase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004096 catalase activity
GO:0004601 peroxidase activity
GO:0020037 heme binding
GO:0046872 metal ion binding
Biological Process
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:0042597 periplasmic space

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1m7s, PDBe:1m7s, PDBj:1m7s
PDBsum1m7s
PubMed12557185
UniProtP46206|CATB_PSESY Catalase (Gene Name=katB)

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