Structure of PDB 1tll Chain B Binding Site BS01

Receptor Information
>1tll Chain B (length=616) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RVKATILYATETGKSQAYAKTLCEIFKHAFDAKAMSMEEYDIVHLEHEAL
VLVVTSTFGNGDPPENGEKFGCALMEMRSYKVRFNVRFSVFGLGSRAYPH
FCAFGHAVDTLLEELGGERILKMREGDELCGQEEAFRTWAKKVFKAACDV
FCVGDDVNIEKSNDRSWKRNKFRLTYVAEAPDLTQGLSNVHKKRVSAARL
LSRQNLQSPKSSRSTIFVRLHTNGNQELQYQPGDHLGVFPGNHEDLVNAL
IERLEDAPPANHVVKVEMLEERNTALGVISNWKDESRLPPCTIFQAFKYY
LDITTPPTPLQLQQFASLATNEKEKQRLLVLSKGLQEYEEWKWGKNPTMV
EVLEEFPSIQMPATLLLTQLSLLQPRYYSISSSPDMYPDEVHLTVAIVSY
HTRDGEGPVHHGVCSSWLNRIQADDVVPCFVRGAPSFHLPRNPQVPCILV
GPGTGIAPFRSFWQQRQFDIQHKGMNPCPMVLVFGCRQSKIDHIYREETL
QAKNKGVFRELYTAYSREPDRPKKYVQDVLQEQLAESVYRALKEQGGHIY
VCGDVTMAADVLKAIQRIMTQQGKLSEEDAGVFISRLRDDNRYHEDIFGV
TLRTYEVTNRLRSESI
Ligand information
Ligand IDSO3
InChIInChI=1S/H2O3S/c1-4(2)3/h(H2,1,2,3)/p-2
InChIKeyLSNNMFCWUKXFEE-UHFFFAOYSA-L
SMILES
SoftwareSMILES
CACTVS 3.341[O-][S]([O-])=O
OpenEye OEToolkits 1.5.0[O-]S(=O)[O-]
ACDLabs 10.04[O-]S([O-])=O
FormulaO3 S
NameSULFITE ION
ChEMBL
DrugBank
ZINC
PDB chain1tll Chain B Residue 2500 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB1tll Structural basis for isozyme-specific regulation of electron transfer in nitric-oxide synthase
Resolution2.3 Å
Binding residue
(original residue number in PDB)		K3095 R3217
Binding residue
(residue number reindexed from 1)		K298 R420
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Y3175 S3176 C3349 D3393 F3395
Catalytic site (residue number reindexed from 1) Y378 S379 C552 D596 F598
Enzyme Commision number 1.14.13.39: nitric-oxide synthase (NADPH).
Gene Ontology
Molecular Function
GO:0010181 FMN binding
GO:0016491 oxidoreductase activity

View graph for
Molecular Function
External links
PDB RCSB:1tll, PDBe:1tll, PDBj:1tll
PDBsum1tll
PubMed15208315
UniProtP29476|NOS1_RAT Nitric oxide synthase 1 (Gene Name=Nos1)

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