Structure of PDB 3rn1 Chain A Binding Site BS01

Receptor Information

>3rn1 Chain A (length=354) Species: 318586 (Paracoccus denitrificans PD1222)

ADDALAALGAQLFVDPALSRNATQSCATCHDPARAFTDPREGKAGLAVSV
GDDGQSHGDRNTPTLGYAALVPAFHRDANGKYKGGQFWDGRADDLKQQAG
QPMLNPVEMAMPDRAAVAARLRDDPAYRTGFEALFGKGVLDDPERAFDAA
AEALAAYQATGEFSPFDSKYDRVMRGEEKFTPLEEFGYTVFITENCRLCH
MQRKQGVAERETFTNFEYHNIGLPVNETAREASGLGADHVDHGLLARPGI
EDPAQSGRFKVPSLRNVAVTGPYMHNGVFTDLRTAILFYNKYTSRRPEAK
INPETGAPWGEPEVARNLSLAELQSGLMLDDGRVDALVAFLETLTDRRYE
PLLE

Ligand information

• Ligand ID: CA
• InChI: InChI=1S/Ca/q+2
• InChIKey: BHPQYMZQTOCNFJ-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Ca++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Ca+2]
• Formula: Ca
• Name: CALCIUM ION
• DrugBank: DB14577
• PDB chain: 3rn1 Chain A Residue 400

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3rn1 Mutagenesis of tryptophan199 reveals that electron hopping is required for MauG-dependent tryptophan tryptophylquinone biosynthesis
• Resolution: 1.93 Å
• Binding residue (original residue number in PDB): N66 T275 P277
• Binding residue (residue number reindexed from 1): N61 T270 P272
• Annotation score: 1

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

External links

• PDB: RCSB:3rn1, PDBe:3rn1, PDBj:3rn1
• PDBsum: 3rn1
• UniProt: Q51658|MAUG_PARDP Methylamine utilization protein MauG (Gene Name=mauG)