Structure of PDB 2jcd Chain A Binding Site BS02

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 1323 [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)		E136 E196 E227 H230
Binding residue
(residue number reindexed from 1)		E130 E190 E221 H224
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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