Structure of PDB 4fvx Chain B Binding Site BS06
Receptor Information
>4fvx Chain B (length=411) Species:
10116
(Rattus norvegicus) [
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RFLKVKNWETDVVLTDTLHLKSTLETGCTEHICMGSIMLPVRTKDQLFPL
AKEFLDQYYSSIKRFGSKAHMDRLEEVNKEIESTSTYQLKDTELIYGAKH
AWRNASRCVGRIQWSKLQVFDARDCTTAHGMFNYICNHVKYATNKGNLRS
AITIFPQRTDGKHDFRVWNSQLIRYAGYKQPDGSTLGDPANVQFTEICIQ
QGWKAPRGRFDVLPLLLQANGNDPELFQIPPELVLEVPIRHPKFDWFKDL
GLKWYGLPAVSNMLLEIGGLEFSACPFSGWYMGTEIGVRDYCDNSRYNIL
EEVAKKMDLDMRKTSSLWKDQALVEINIAVLYSFQSDKVTIVDHHSATES
FIKHMENEYRCRGGCPADWVWIVPPMSGSITPVFHQEMLNYRLTPSFEYQ
PDPWNTHVWKG
Ligand information
Ligand ID
TFA
InChI
InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)
InChIKey
DTQVDTLACAAQTR-UHFFFAOYSA-N
SMILES
Software
SMILES
ACDLabs 12.01
FC(F)(F)C(=O)O
CACTVS 3.370
OC(=O)C(F)(F)F
OpenEye OEToolkits 1.7.0
C(=O)(C(F)(F)F)O
Formula
C2 H F3 O2
Name
trifluoroacetic acid
ChEMBL
CHEMBL506259
DrugBank
ZINC
ZINC000003860798
PDB chain
4fvx Chain B Residue 804 [
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Receptor-Ligand Complex Structure
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PDB
4fvx
Methylated N(omega)-Hydroxy-l-arginine Analogues as Mechanistic Probes for the Second Step of the Nitric Oxide Synthase-Catalyzed Reaction
Resolution
2.0 Å
Binding residue
(original residue number in PDB)
G417 W587
Binding residue
(residue number reindexed from 1)
G110 W280
Annotation score
1
Enzymatic activity
Catalytic site (original residue number in PDB)
C415 R418 W587 E592
Catalytic site (residue number reindexed from 1)
C108 R111 W280 E285
Enzyme Commision number
1.14.13.39
: nitric-oxide synthase (NADPH).
Gene Ontology
Molecular Function
GO:0004517
nitric-oxide synthase activity
Biological Process
GO:0006809
nitric oxide biosynthetic process
View graph for
Molecular Function
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Biological Process
External links
PDB
RCSB:4fvx
,
PDBe:4fvx
,
PDBj:4fvx
PDBsum
4fvx
PubMed
23586781
UniProt
P29476
|NOS1_RAT Nitric oxide synthase 1 (Gene Name=Nos1)
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