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Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

3NW2

Novel nanomolar Imidazopyridines as selective Nitric Oxide Synthase (iNOS) inhibitors: SAR and structural insights

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004517	molecular_function	nitric-oxide synthase activity
A	0006809	biological_process	nitric oxide biosynthetic process
B	0004517	molecular_function	nitric-oxide synthase activity
B	0006809	biological_process	nitric oxide biosynthetic process

Functional Information from PDB Data

site_id	AC1
Number of Residues	15
Details	BINDING SITE FOR RESIDUE HEM A 901

Chain	Residue
A	MPW1
A	MET368
A	GLU371
A	TRP457
A	TYR483
A	TYR485
A	H4B902
A	TRP188
A	ARG193
A	CYS194
A	ILE195
A	GLN199
A	MET349
A	PHE363
A	TRP366

site_id	AC2
Number of Residues	10
Details	BINDING SITE FOR RESIDUE H4B A 902

Chain	Residue
A	SER112
A	ARG375
A	TRP455
A	ILE456
A	TRP457
A	PHE470
A	HIS471
A	GLN472
A	GLU473
A	HEM901

site_id	AC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 A 907

Chain	Residue
A	LEU94
A	LYS97
A	GLN143
A	ARG448

site_id	AC4
Number of Residues	8
Details	BINDING SITE FOR RESIDUE MPW A 1

Chain	Residue
A	GLN257
A	ARG260
A	VAL346
A	PHE363
A	GLY365
A	GLU371
A	ARG382
A	HEM901

site_id	AC5
Number of Residues	15
Details	BINDING SITE FOR RESIDUE HEM B 901

Chain	Residue
B	MPW1
B	TRP188
B	ARG193
B	CYS194
B	ILE195
B	GLN199
B	LEU203
B	PHE363
B	ASN364
B	TRP366
B	GLU371
B	TRP457
B	TYR483
B	TYR485
B	H4B902

site_id	AC6
Number of Residues	10
Details	BINDING SITE FOR RESIDUE H4B B 902

Chain	Residue
B	HOH31
B	SER112
B	ARG375
B	ILE456
B	TRP457
B	PHE470
B	HIS471
B	GLN472
B	GLU473
B	HEM901

site_id	AC7
Number of Residues	8
Details	BINDING SITE FOR RESIDUE MPW B 1

Chain	Residue
B	GLN257
B	ARG260
B	VAL346
B	PHE363
B	TRP366
B	GLU371
B	ARG382
B	HEM901

Functional Information from PROSITE/UniProt

site_id	PS60001
Number of Residues	8
Details	NOS Nitric oxide synthase (NOS) signature. RCIGRIqW

Chain	Residue	Details
A	ARG193-TRP200

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	4
Details	BINDING: BINDING => ECO:0000269\|PubMed:10562539, ECO:0000269\|PubMed:10769116, ECO:0000269\|PubMed:12464241, ECO:0007744\|PDB:1DF1, ECO:0007744\|PDB:1DWV, ECO:0007744\|PDB:1DWW, ECO:0007744\|PDB:1N2N

Chain	Residue	Details
A	CYS104
A	CYS109
B	CYS104
B	CYS109

site_id	SWS_FT_FI2
Number of Residues	2
Details	BINDING: BINDING => ECO:0000269\|PubMed:10562539, ECO:0000269\|PubMed:10769116, ECO:0000269\|PubMed:11669619, ECO:0000269\|PubMed:12437348, ECO:0000269\|PubMed:12464241, ECO:0000269\|PubMed:9516116, ECO:0007744\|PDB:1DF1, ECO:0007744\|PDB:1DWX, ECO:0007744\|PDB:1JWJ, ECO:0007744\|PDB:1M8D, ECO:0007744\|PDB:1M8E, ECO:0007744\|PDB:1M8H, ECO:0007744\|PDB:1M8I, ECO:0007744\|PDB:1M9T, ECO:0007744\|PDB:1N2N, ECO:0007744\|PDB:1NOD, ECO:0007744\|PDB:1QOM, ECO:0007744\|PDB:2NOD, ECO:0007744\|PDB:3NOD

Chain	Residue	Details
A	SER112
B	SER112

site_id	SWS_FT_FI3
Number of Residues	2
Details	BINDING: axial binding residue => ECO:0000269\|PubMed:10562539, ECO:0000269\|PubMed:10769116, ECO:0000269\|PubMed:11669619, ECO:0000269\|PubMed:12437348, ECO:0000269\|PubMed:12464241, ECO:0000269\|PubMed:9334294, ECO:0000269\|PubMed:9516116, ECO:0007744\|PDB:1DF1, ECO:0007744\|PDB:1DWV, ECO:0007744\|PDB:1DWW, ECO:0007744\|PDB:1DWX, ECO:0007744\|PDB:1JWJ, ECO:0007744\|PDB:1JWK, ECO:0007744\|PDB:1M8D, ECO:0007744\|PDB:1M8E, ECO:0007744\|PDB:1M8H, ECO:0007744\|PDB:1M8I, ECO:0007744\|PDB:1M9T, ECO:0007744\|PDB:1N2N, ECO:0007744\|PDB:1NOC, ECO:0007744\|PDB:1NOD, ECO:0007744\|PDB:1NOS, ECO:0007744\|PDB:1QOM, ECO:0007744\|PDB:2NOD, ECO:0007744\|PDB:2NOS, ECO:0007744\|PDB:3NOD

Chain	Residue	Details
A	CYS194
B	CYS194

site_id	SWS_FT_FI4
Number of Residues	8
Details	BINDING: BINDING => ECO:0000250\|UniProtKB:P29474

Chain	Residue	Details
A	GLN257
A	TRP366
A	TYR367
A	GLU371
B	GLN257
B	TRP366
B	TYR367
B	GLU371

site_id	SWS_FT_FI5
Number of Residues	2
Details	BINDING: BINDING => ECO:0000269\|PubMed:10562539, ECO:0000269\|PubMed:10769116, ECO:0000269\|PubMed:11669619, ECO:0000269\|PubMed:12437348, ECO:0000269\|PubMed:12464241, ECO:0000269\|PubMed:9516116, ECO:0007744\|PDB:1DF1, ECO:0007744\|PDB:1DWX, ECO:0007744\|PDB:1JWJ, ECO:0007744\|PDB:1JWK, ECO:0007744\|PDB:1M8D, ECO:0007744\|PDB:1M8E, ECO:0007744\|PDB:1M8H, ECO:0007744\|PDB:1M8I, ECO:0007744\|PDB:1M9T, ECO:0007744\|PDB:1N2N, ECO:0007744\|PDB:1NOD, ECO:0007744\|PDB:1QOM, ECO:0007744\|PDB:3NOD

Chain	Residue	Details
A	ARG375
B	ARG375

site_id	SWS_FT_FI6
Number of Residues	2
Details	BINDING: BINDING => ECO:0000269\|PubMed:10562539, ECO:0000269\|PubMed:12437348, ECO:0000269\|PubMed:12464241, ECO:0007744\|PDB:1DF1, ECO:0007744\|PDB:1M9T, ECO:0007744\|PDB:1N2N

Chain	Residue	Details
A	ILE456
B	ILE456

site_id	SWS_FT_FI7
Number of Residues	2
Details	BINDING: BINDING => ECO:0000269\|PubMed:10562539, ECO:0000269\|PubMed:10769116, ECO:0000269\|PubMed:12437348, ECO:0000269\|PubMed:12464241, ECO:0000269\|PubMed:9516116, ECO:0007744\|PDB:1DF1, ECO:0007744\|PDB:1DWX, ECO:0007744\|PDB:1M8D, ECO:0007744\|PDB:1M8E, ECO:0007744\|PDB:1M8I, ECO:0007744\|PDB:1M9T, ECO:0007744\|PDB:1N2N, ECO:0007744\|PDB:1NOD, ECO:0007744\|PDB:1QOM, ECO:0007744\|PDB:2NOD, ECO:0007744\|PDB:3NOD

Chain	Residue	Details
A	TRP457
B	TRP457

site_id	SWS_FT_FI8
Number of Residues	2
Details	BINDING: BINDING => ECO:0000269\|PubMed:10562539, ECO:0000269\|PubMed:10769116, ECO:0000269\|PubMed:11669619, ECO:0000269\|PubMed:12437348, ECO:0000269\|PubMed:12464241, ECO:0000269\|PubMed:9516116, ECO:0007744\|PDB:1DF1, ECO:0007744\|PDB:1DWX, ECO:0007744\|PDB:1JWJ, ECO:0007744\|PDB:1JWK, ECO:0007744\|PDB:1M8D, ECO:0007744\|PDB:1M8E, ECO:0007744\|PDB:1M8H, ECO:0007744\|PDB:1M8I, ECO:0007744\|PDB:1N2N, ECO:0007744\|PDB:1NOD, ECO:0007744\|PDB:1QOM, ECO:0007744\|PDB:2NOD, ECO:0007744\|PDB:3NOD

Chain	Residue	Details
A	PHE470
B	PHE470

site_id	SWS_FT_FI9
Number of Residues	2
Details	BINDING: BINDING => ECO:0000269\|PubMed:10562539, ECO:0000269\|PubMed:10769116, ECO:0000269\|PubMed:9516116, ECO:0007744\|PDB:1DF1, ECO:0007744\|PDB:1DWX, ECO:0007744\|PDB:1NOD, ECO:0007744\|PDB:1QOM, ECO:0007744\|PDB:2NOD, ECO:0007744\|PDB:3NOD

Chain	Residue	Details
A	TYR485
B	TYR485

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PDB entries from 2024-07-10

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