Danish

PDB ID: pdb_00003nw2

Novel nanomolar Imidazopyridines as selective Nitric Oxide Synthase (iNOS) inhibitors: SAR and structural insights
Experimental method: X-RAY DIFFRACTION
Resolution: 2.8 Å
Deposition date: 2010-07-09

Number of assemblies: 2

Assembly ID: 1 (author_and_software_defined_assembly)
Structural data	modeled
Oligomeric count	2
label_asym_ids of protein
label_asym_ids of heme
label_asym_ids of the others	D (H4B ), D-1 (H4B ), E (SO4 ), E-1 (SO4 ), F (MPW ), F-1 (MPW )

Each chain information

Chain A heme
auth_asym_id	A
Residue indices (Uniprot)	77-496 (77-499)
Missing residues	102PHE-107LYS
Structural gaps	Exists
Uniprot ID	P29477 ￫UniprotKB
label_asym_ids of heme	C
Available structure	PDB and Modeled
RMSD of experimental residues after energy minimization	0.15 Å

Chain A-1 heme
auth_asym_id	A
Residue indices (Uniprot)	77-496 (77-499)
Missing residues	102PHE-107LYS
Structural gaps	Exists
Uniprot ID	P29477 ￫UniprotKB
label_asym_ids of heme	C-1
Available structure	PDB and Modeled
RMSD of experimental residues after energy minimization	0.15 Å

Assembly ID: 2 (author_and_software_defined_assembly)
Structural data	modeled
Oligomeric count	2
label_asym_ids of protein
label_asym_ids of heme
label_asym_ids of the others	H (H4B ), H-1 (H4B ), I (MPW ), I-1 (MPW )

Each chain information

Chain B heme
auth_asym_id	B
Residue indices (Uniprot)	77-496 (77-499)
Missing residues	101ASP-107LYS
Structural gaps	Exists
Uniprot ID	P29477 ￫UniprotKB
label_asym_ids of heme	G
Available structure	PDB and Modeled
RMSD of experimental residues after energy minimization	0.14 Å

Chain B-1 heme
auth_asym_id	B
Residue indices (Uniprot)	77-496 (77-499)
Missing residues	101ASP-107LYS
Structural gaps	Exists
Uniprot ID	P29477 ￫UniprotKB
label_asym_ids of heme	G-1
Available structure	PDB and Modeled
RMSD of experimental residues after energy minimization	0.16 Å