Structure of PDB 4fa4 Chain A Binding Site BS01

Receptor Information
>4fa4 Chain A (length=354) Species: 318586 (Paracoccus denitrificans PD1222) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ADDALAALGAQLFVDPALSRNATQSCATCHDPARAFTDPREGKAGLAVSV
GDDGQSHGDRNTPTLGYAALVPAFHRDANGKYKGGQFWDGRADDLKQQAG
QPMLNPVEMAMPDRAAVAARLRDDPAYRTGFEALFGKGVLDDPERAFDAA
AEALAAYQATGEFSPFDSKYDRVMRGEEKFTPLEEFGYTVFITWNCRLCH
MQRKQGVAERETFTNFEYHNIGLPVNETAREASGLGADHVDHGLLARPGI
EDPAQSGRFKVPSLRNVAVTGPYMHNGVFTDLRTAILFYNKYTSRRPEAK
INPETGAPWGEPEVARNLSLAELQSGLMLDDGRVDALVAFLETLTDRRYE
PLLE
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain4fa4 Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4fa4 Diradical intermediate within the context of tryptophan tryptophylquinone biosynthesis.
Resolution2.14 Å
Binding residue
(original residue number in PDB)		N66 T275 P277
Binding residue
(residue number reindexed from 1)		N61 T270 P272
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) E113
Catalytic site (residue number reindexed from 1) E108
Enzyme Commision number 1.-.-.-
Gene Ontology
Molecular Function
GO:0004130 cytochrome-c peroxidase activity
GO:0009055 electron transfer activity
GO:0016491 oxidoreductase activity
GO:0020037 heme binding
GO:0046872 metal ion binding
Biological Process
GO:0098869 cellular oxidant detoxification
Cellular Component
GO:0042597 periplasmic space

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4fa4, PDBe:4fa4, PDBj:4fa4
PDBsum4fa4
PubMed23487750
UniProtQ51658|MAUG_PARDP Methylamine utilization protein MauG (Gene Name=mauG)

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