STRUCTURE OF NEURONAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH N~5~-[(3-(ETHYLSULFANYL)PROPANIMIDOYL]-L- O RNITHINE
PDB id Source Resolution
3JT4 1.8 angstroms
Ligand Information
Ligand Validity Binding
Data		 Ligand
Warnings		 Eolus Viewer
(click picture
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Viewer		 Molecular
Weight
(Da)		 Formula SMILES
JM8 Valid Ki =  33.0 uM   launch gocavviewer-lite   247.358
C10 H21 N3 O2 S
 [H]/N=C(CCSCC)/NCCC[C@@H](C(=O)O)N
ACT Invalid            
H4B Valid submit data   launch gocavviewer-lite   241.247
C9 H15 N5 O3
 C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O

HEME-COORDINATING INHIBITORS OF NEURONAL NITRIC OXIDE SYNTHASE. IRON-THIOETHER COORDINATION IS STABILIZED BY HYDROPHOBIC CONTACTS WITHOUT INCREASED INHIBITOR POTENCY. J.AM.CHEM.SOC. V. 132 798 2010

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90% Homology Family

The Class containing this family consists of a total of 8 families.
Leader:    3JWT
STRUCTURE OF RAT NEURONAL NITRIC OXIDE SYNTHASE
R349A MUTANT DOMAIN IN COMPLEX WITH N1-{(3'R
,4'R)-4'-[(6"-AMINO-4"-METHY2 "-YL)METHYL]PYRROLIDIN
-3'-YL}-N2-(3'-FLUOROPHENETHYL)ETHANDI AMINE
PDB id Binding data Representative ligand
3JWT Ki = 5.3 nM JI5
1K2R   BH4
1K2T   BH4
1K2U   BH4
1LZX   BH4
1LZZ   BH4
1M00   BH4
1MMV   BH4
1MMW   BH4
1OM4   BH4
1OM5   BH4
1P6H Ki = 0.3 uM DP1
1P6I Ki = 0.15 uM DP3
1P6J Ki = 0.1 uM DP9
1P6K Ki = 67.0 uM DP1
1QW6   H4B
1QWC   H4B
1RS6   BH4
1RS7   BH4
1VAG   H4B
1ZVI   H4B
1ZVL   ARG
1ZZQ Ki = 20.0 uM DP9
1ZZR Ki = 42.0 uM DP9
1ZZU Ki = 63.3 uM DP1
2G6H   ARG
2G6I   ARG
2G6J   ARG
2G6K   ARG
2G6L   ARG
2G6M   ARG
2G6N   ARG
2HX3 Ki = 0.12 uM 3HX
2HX4 Ki = 0.31 uM 4HX
3B3M Ki = 47.94 uM JI1
3B3N Ki = 388.0 nM JI2
3B3O Ki = 0.085 uM JI3
3B3P Ki = 0.25 uM JI7
3DQR Ki = 0.388 uM JI2
3HSN   HAR
3HSO   HAR
3HSP   HAR
3JT3 Ki = 0.9 uM JM2
3JT4 Ki = 33.0 uM JM8
3JT5 Ki = 8.6 uM JM7
3JT6 Ki = 32.0 uM JM6
3JT7 Ki = 59.0 uM JM5
3JT8   JM4
3JT9 Ki = 8.6 uM JM7
3JTA Ki = 32.0 uM JM6
3JWS Ki = 52.2 nM JI4
3JWU Ki = 171.0 nM J11
3JWV Ki = 18.9 nM J14
3JX0 Ki = 1190.0 nM JI4
3JX1 Ki = 290.0 nM JI5
3JX2 Ki = 1190.0 nM JI4
3JX3 Ki = 180.0 nM JI5
3JX4   H4B
3JX5   J14
3JX6 Ki = 2180.0 nM JI5
3N2R Ki = 3.0 uM XJH
3N5V   H4B
3N5W Ki = 25.0 nM XFJ
3N5X Ki = 103.0 nM XFK
3N5Y Ki = 99.0 nM XFL
3N5Z Ki = 195.0 nM XFM
3N60 Ki = 85.0 nM XFN
3N61   H4B
3N62   H4B
3N63   XFN
3N64   XFN
3N65   XFJ
3N66   XFN
3NLJ   H4B
3NLK Ki = 116.0 nM JSS
3NLM Ki = 7.2 nM JRR
3NLN   JRS
3NLO   H4B
3NLP   H4B
3NLQ   H4B
3NLR   JRS
3NLV Ki = 0.39 uM 3XA
3NLW Ki = 2.7 uM 3XF
3NLX Ki = 0.036 uM 3XB
3NLY Ki = 0.16 uM 3XC
3NLZ Ki = 0.085 uM 3XD
3NM0 Ki = 0.17 uM 3XE
3NNY Ki = 50.0 nM 59R
3NNZ Ki = 220.0 nM 59W
3PNE Ki = 0.086 uM 8AX
3PNF Ki = 0.17 uM 8BX
3PNG Ki = 0.026 uM 8CX
3Q99   JM8
3Q9A   JM7
3SVP Ki = 0.077 uM JK5
3SVQ Ki = 0.18 uM JK4