7TSM
Structure of human endothelial nitric oxide synthase heme domain in complex with 4-methyl-6-(3-(4-methylpiperazin-1-yl)prop-1-yn-1-yl)pyridin-2-amine bishydrochloride
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 |
| C | 0004517 | molecular_function | nitric-oxide synthase activity |
| C | 0006809 | biological_process | nitric oxide biosynthetic process |
| D | 0004517 | molecular_function | nitric-oxide synthase activity |
| D | 0006809 | biological_process | nitric oxide biosynthetic process |
Functional Information from PROSITE/UniProt
| site_id | PS60001 |
| Number of Residues | 8 |
| Details | NOS Nitric oxide synthase (NOS) signature. RCVGRIqW |
| Chain | Residue | Details |
| A | ARG183-TRP190 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 8 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:10074942, ECO:0000269|PubMed:12437348, ECO:0000269|PubMed:18849972, ECO:0000269|PubMed:25286850, ECO:0007744|PDB:1M9J, ECO:0007744|PDB:1M9K, ECO:0007744|PDB:1M9M, ECO:0007744|PDB:1M9Q, ECO:0007744|PDB:1M9R, ECO:0007744|PDB:3EAH, ECO:0007744|PDB:3NOS, ECO:0007744|PDB:4D1O, ECO:0007744|PDB:4D1P |
| Chain | Residue | Details |
| A | CYS94 | |
| A | CYS99 | |
| B | CYS94 | |
| B | CYS99 | |
| C | CYS94 | |
| C | CYS99 | |
| D | CYS94 | |
| D | CYS99 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 40 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:25286850, ECO:0007744|PDB:4D1O |
| Chain | Residue | Details |
| A | SER102 | |
| A | TYR475 | |
| B | SER102 | |
| B | GLN247 | |
| B | TRP356 | |
| B | TYR357 | |
| B | GLU361 | |
| B | ASN366 | |
| B | ALA446 | |
| B | TRP447 | |
| B | PHE460 | |
| A | GLN247 | |
| B | TYR475 | |
| C | SER102 | |
| C | GLN247 | |
| C | TRP356 | |
| C | TYR357 | |
| C | GLU361 | |
| C | ASN366 | |
| C | ALA446 | |
| C | TRP447 | |
| C | PHE460 | |
| A | TRP356 | |
| C | TYR475 | |
| D | SER102 | |
| D | GLN247 | |
| D | TRP356 | |
| D | TYR357 | |
| D | GLU361 | |
| D | ASN366 | |
| D | ALA446 | |
| D | TRP447 | |
| D | PHE460 | |
| A | TYR357 | |
| D | TYR475 | |
| A | GLU361 | |
| A | ASN366 | |
| A | ALA446 | |
| A | TRP447 | |
| A | PHE460 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 4 |
| Details | BINDING: axial binding residue => ECO:0000269|PubMed:25286850, ECO:0007744|PDB:4D1O |
| Chain | Residue | Details |
| A | CYS184 | |
| B | CYS184 | |
| C | CYS184 | |
| D | CYS184 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 4 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:10074942, ECO:0000269|PubMed:25286850, ECO:0007744|PDB:3NOS, ECO:0007744|PDB:4D1O, ECO:0007744|PDB:4D1P |
| Chain | Residue | Details |
| A | ARG365 | |
| B | ARG365 | |
| C | ARG365 | |
| D | ARG365 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 4 |
| Details | MOD_RES: Phosphoserine; by CDK5 => ECO:0000269|PubMed:20213743 |
| Chain | Residue | Details |
| A | SER114 | |
| B | SER114 | |
| C | SER114 | |
| D | SER114 |
Catalytic Information from CSA
| site_id | MCSA1 |
| Number of Residues | 4 |
| Details | M-CSA 935 |
| Chain | Residue | Details |
| A | CYS184 | metal ligand |
| A | ARG187 | steric role |
| A | TRP356 | electrostatic stabiliser |
| A | GLU361 | electrostatic stabiliser |
| site_id | MCSA2 |
| Number of Residues | 4 |
| Details | M-CSA 935 |
| Chain | Residue | Details |
| B | CYS184 | metal ligand |
| B | ARG187 | steric role |
| B | TRP356 | electrostatic stabiliser |
| B | GLU361 | electrostatic stabiliser |
| site_id | MCSA3 |
| Number of Residues | 4 |
| Details | M-CSA 935 |
| Chain | Residue | Details |
| C | CYS184 | metal ligand |
| C | ARG187 | steric role |
| C | TRP356 | electrostatic stabiliser |
| C | GLU361 | electrostatic stabiliser |
| site_id | MCSA4 |
| Number of Residues | 4 |
| Details | M-CSA 935 |
| Chain | Residue | Details |
| D | CYS184 | metal ligand |
| D | ARG187 | steric role |
| D | TRP356 | electrostatic stabiliser |
| D | GLU361 | electrostatic stabiliser |
