Structure of PDB 1ggf Chain A Binding Site BS02

Receptor Information
>1ggf Chain A (length=727) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DSLAPEDGSHRPAAEPTPPGAQPTAPGSLKAPDTRNEKLNSLEDVRKGSE
NYALTTNQGVRIADDQNSLRAGSRGPTLLEDFILREKITHFDHERIPERI
VNARGSAAHGYFQPYKSLSDITKADFLSDPNKITPVFVRFSTVQGGAGSA
DTVRDIRGFATKFYTEEGIFDLVGNNTPIFFIQDAHKFPDFVHAVKPEPH
WAIPQGQSAHDTFWDYVSLQPETLHNVMWAMSDRGIPRSYRTMEGFGIHT
FRLINAEGKATFVRFHWKPLAGKASLVWDEAQKLTGRDPDFHRRELWEAI
EAGDFPEYELGFQLIPEEDEFKFDFDLLDPTKLIPEELVPVQRVGKMVLN
RNPDNFFAENEQAAFHPGHIVPGLDFTNDPLLQGRLFSYTDTQISRLGGP
NFHEIPINRPTCPYHNFQRDGMHRMGIDTNPANYEPNSINDNWPRETPPG
PKRGGFESYQERVEGNKVRERSPSFGEYYSHPRLFWLSQTPFEQRHIVDG
FSFELSKVVRPYIRERVVDQLAHIDLTLAQAVAKNLGIELTDDQLNITPP
PDVNGLKKDPSLSLYAIPDGDVKGRVVAILLNDEVRSADLLAILKALKAK
GVHAKLLYSRMGEVTADDGTVLPIAATFAGAPSLTVDAVIVPCGNIADIA
DNGDANYYLMEAYKHLKPIALAGDARKFKATIKIADQGEEGIVEADSADG
SFMDELLTLMAAHRVWSRIPKIDKIPA
Ligand information
Ligand IDPEO
InChIInChI=1S/H2O2/c1-2/h1-2H
InChIKeyMHAJPDPJQMAIIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01
CACTVS 3.385
OpenEye OEToolkits 2.0.7		OO
FormulaH2 O2
NameHYDROGEN PEROXIDE
ChEMBLCHEMBL71595
DrugBankDB11091
ZINC
PDB chain1ggf Chain A Residue 3002 [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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PDB1ggf Substrate flow in catalases deduced from the crystal structures of active site variants of HPII from Escherichia coli.
Resolution2.28 Å
Binding residue
(original residue number in PDB)		V169 N201
Binding residue
(residue number reindexed from 1)		V143 N175
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) N128 N201 H392
Catalytic site (residue number reindexed from 1) N102 N175 H366
Enzyme Commision number 1.11.1.6: catalase.
Gene Ontology
Molecular Function
GO:0004096 catalase activity
GO:0004601 peroxidase activity
GO:0005506 iron ion binding
GO:0020037 heme binding
GO:0042802 identical protein binding
GO:0046872 metal ion binding
Biological Process
GO:0006972 hyperosmotic response
GO:0006974 DNA damage response
GO:0006979 response to oxidative stress
GO:0042744 hydrogen peroxide catabolic process
GO:0098869 cellular oxidant detoxification
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1ggf, PDBe:1ggf, PDBj:1ggf
PDBsum1ggf
PubMed11455600
UniProtP21179|CATE_ECOLI Catalase HPII (Gene Name=katE)

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