 |
PDBsum entry 3nlp
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
 |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
Oxidoreductase
|
PDB id
|
|
|
|
3nlp
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
 |
Contents |
 |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
* Residue conservation analysis
|
|
|
|
|
|
PDB id:
|
|
|
|
| Name: |
|
Oxidoreductase
|
|
|
Title:
|
|
Structure of neuronal nitric oxide synthase d597n/m336v mutant heme domain in complex with 6-{{(3's,4's)-3'-[2"-(3'''- fluorophenethylamino)ethoxy]pyrrolidin-4'-yl}methyl}-4-methylpyridin- 2-amine
|
|
Structure:
|
|
Nitric oxide synthase, brain. Chain: a, b. Fragment: unp residues 297-718. Synonym: bnos, nos type i, neuronal nos, n-nos, nnos, constitutive nos, nc-nos. Engineered: yes. Mutation: yes
|
|
Source:
|
|
Rattus norvegicus. Brown rat,rat,rats. Organism_taxid: 10116. Gene: nos1, bnos. Expressed in: escherichia coli. Expression_system_taxid: 469008.
|
|
Resolution:
|
|
|
2.02Å
|
R-factor:
|
0.189
|
R-free:
|
0.228
|
|
|
Authors:
|
|
H.Li,S.L.Delker,T.L.Poulos
|
|
Key ref:
|
|
H.Ji
et al.
(2010).
Exploration of the active site of neuronal nitric oxide synthase by the design and synthesis of pyrrolidinomethyl 2-aminopyridine derivatives.
J Med Chem,
53,
7804-7824.
PubMed id:
|
|
|
Date:
|
|
|
21-Jun-10
|
Release date:
|
03-Nov-10
|
|
|
|
|
|
|
PROCHECK
|
|
|
|
|
|
Headers
|
|
|
|
References
|
|
|
|
|
|
|
|
P29476
(NOS1_RAT) -
Nitric oxide synthase 1 from Rattus norvegicus
|
|
|
|
Seq:
Struc:
|
|
|
|
1429 a.a.
407 a.a.*
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
Key: |
 |
PfamA domain |
|
|
 |
Secondary structure |
|
 |
CATH domain |
|
|
*
PDB and UniProt seqs differ
at 2 residue positions (black
crosses)
|
|
|
|
|
|
|
|
|
|
|
|
|
Enzyme class:
|
|
E.C.1.14.13.39
- nitric-oxide synthase (NADPH).
|
|
|
|
|
|
|
Reaction:
|
|
2 L-arginine + 3 NADPH + 4 O2 + H+ = 2 L-citrulline + 2 nitric oxide + 3 NADP+ + 4 H2O
|
|
|
|
|
|
2
×
L-arginine
|
+
|
3
×
NADPH
|
+
|
4
×
O2
|
+
|
H(+)
|
=
|
2
×
L-citrulline
|
+
|
2
×
nitric oxide
|
+
|
3
×
NADP(+)
|
+
|
4
×
H2O
|
|
|
|
|
|
|
|
|
|
|
|
|
Molecule diagrams generated from .mol files obtained from the
KEGG ftp site
|
|
|
|
|
|
|
|
|
|
|
|
|
|
 |
|
|
|
|
|
|
| |
|
|
| |
|
|
J Med Chem
53:7804-7824
(2010)
|
|
PubMed id:
|
|
|
|
|
|
| |
|
Exploration of the active site of neuronal nitric oxide synthase by the design and synthesis of pyrrolidinomethyl 2-aminopyridine derivatives.
|
|
H.Ji,
S.L.Delker,
H.Li,
P.Martásek,
L.J.Roman,
T.L.Poulos,
R.B.Silverman.
|
|
|
|
|
| |
ABSTRACT
|
|
|
|
| |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
 |
 |
 |
|
Links
