Structure of PDB 2jcd Chain A Binding Site BS01

Receptor Information
>2jcd Chain A (length=315) Species: 66431 (Streptomyces thioluteus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HLATTWAARGWVEEEGIGSATLGRLVRAWPRRAAVVNKADILDEWADYDT
LVPDYPLEIVPFAEHPLFLAAEPHQRQRVLTGMWIGYNERVIATEQLIAE
PAFDLVMHGVFPGSDDPLIRKSVQQAIVDESFHTYMHMLAIDRTRELRKI
SERPPQPELVTYRRLRRVLADMPEQWERDIAVLVWGAVAETCINALLALL
ARDATIQPMHSLITTLHLRDETAHGSIVVEVVRELYARMNEQQRRALVRC
LPIALEAFAEQDLSALLLELNAAGIRGAEEIVGDLRSTAGGTRLVRDFSG
ARKMVEQLGLDDAVD
Ligand information
Ligand IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain2jcd Chain A Residue 1322 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2jcd Structure and Action of the N-Oxygenase Aurf from Streptomyces Thioluteus.
Resolution2.11 Å
Binding residue
(original residue number in PDB)		E101 E136 H139 H223 E227
Binding residue
(residue number reindexed from 1)		E95 E130 H133 H217 E221
Annotation score1
Enzymatic activity
Enzyme Commision number 1.14.99.68: 4-aminobenzoate N-oxygenase.
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0042802 identical protein binding
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:2jcd, PDBe:2jcd, PDBj:2jcd
PDBsum2jcd
PubMed17765264
UniProtQ70KH9|AURF_STRTU 4-aminobenzoate N-oxygenase (Gene Name=aurF)

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