Structure of PDB 2bcp Chain A Binding Site BS01

Receptor Information
>2bcp Chain A (length=473) Species: 1314 (Streptococcus pyogenes) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GQQMGRTLYDDDDKDRWGSKIVVVGANHAGTACIKTMLTNYGDANEIVVF
DQNSNISFLGSGMALWIGEQIAGPEGLFYSDKEELESLGAKVYMESPVQS
IDYDAKTVTALVDGKNHVETYDKLIFATGSQPILPPIKGAEIKEGSLEFE
ATLENLQFVKLYQNSADVIAKLENKDIKRVAVVGAGYIGVELAEAFQRKG
KEVVLIDVVDTCLAGYYDRDLTDLMAKNMEEHGIQLAFGETVKEVAGNGK
VEKIITDKNEYDVDMVILAVGFRPNTTLGNGKIDLFRNGAFLVNKRQETS
IPGVYAIGDCATIYDNATRDTNYIALASNAVRTGIVAAHNACGTDLEGIG
VQGSNGISIYGLHMVSTGLTLEKAKRLGFDAAVTEYTDNQKPEFIEHGNF
PVTIKIVYDKDSRRILGAQMAAREDVSMGIHMFSLAIQEGVTIEKLALTD
IFFLPHFNKPYNYITMAALGAKD
Ligand information
Ligand IDAZI
InChIInChI=1S/N3/c1-3-2/q-1
InChIKeyIVRMZWNICZWHMI-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[N-]=[N+]=[N-]
FormulaN3
NameAZIDE ION
ChEMBLCHEMBL79455
DrugBank
ZINC
PDB chain2bcp Chain A Residue 668 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2bcp Structural Analysis of Streptococcus pyogenes NADH Oxidase: Conformational Dynamics Involved in Formation of the C(4a)-Peroxyflavin Intermediate.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		G43 S44
Binding residue
(residue number reindexed from 1)		G60 S61
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H11 I39 G43 S44 V314
Catalytic site (residue number reindexed from 1) H28 I56 G60 S61 V331
Enzyme Commision number 1.6.3.4: NADH oxidase (H2O-forming).
Gene Ontology
Molecular Function
GO:0008137 NADH dehydrogenase (ubiquinone) activity
GO:0016491 oxidoreductase activity
Biological Process
GO:1902600 proton transmembrane transport

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Molecular Function
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Biological Process
External links
PDB RCSB:2bcp, PDBe:2bcp, PDBj:2bcp
PDBsum2bcp
PubMed26506002
UniProtQ5XC60|NAOX_STRP6 NADH oxidase (Gene Name=M6_Spy0868)

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