6POU
Structure of human endothelial nitric oxide synthase heme domain in complex with 7-(4-(2-Aminoethyl)phenyl)-4-methylquinolin-2-amine
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 |
| E | 0004517 | molecular_function | nitric-oxide synthase activity |
| E | 0006809 | biological_process | nitric oxide biosynthetic process |
| F | 0004517 | molecular_function | nitric-oxide synthase activity |
| F | 0006809 | biological_process | nitric oxide biosynthetic process |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 14 |
| Details | binding site for residue HEM A 501 |
| Chain | Residue |
| A | TRP178 |
| A | ARG365 |
| A | TRP447 |
| A | TYR475 |
| A | M16502 |
| A | HOH604 |
| A | ARG183 |
| A | CYS184 |
| A | SER226 |
| A | PHE353 |
| A | SER354 |
| A | TRP356 |
| A | MET358 |
| A | GLU361 |
| site_id | AC2 |
| Number of Residues | 8 |
| Details | binding site for residue M16 A 502 |
| Chain | Residue |
| A | VAL336 |
| A | PHE353 |
| A | TRP356 |
| A | TYR357 |
| A | GLU361 |
| A | ARG365 |
| A | TYR475 |
| A | HEM501 |
| site_id | AC3 |
| Number of Residues | 6 |
| Details | binding site for residue M16 A 503 |
| Chain | Residue |
| A | VAL104 |
| A | ALA446 |
| A | TRP447 |
| A | HOH604 |
| B | TRP445 |
| B | PHE460 |
| site_id | AC4 |
| Number of Residues | 10 |
| Details | binding site for residue BTB A 504 |
| Chain | Residue |
| A | TRP322 |
| A | VAL381 |
| A | CYS382 |
| A | ASP384 |
| A | GD507 |
| A | HOH699 |
| F | TRP322 |
| F | ALA325 |
| F | LEU326 |
| F | ASP378 |
| site_id | AC5 |
| Number of Residues | 4 |
| Details | binding site for residue BTB A 505 |
| Chain | Residue |
| A | GLU377 |
| A | THR387 |
| A | ARG388 |
| F | ASP384 |
| site_id | AC6 |
| Number of Residues | 4 |
| Details | binding site for residue ZN A 506 |
| Chain | Residue |
| A | CYS94 |
| A | CYS99 |
| B | CYS94 |
| B | CYS99 |
| site_id | AC7 |
| Number of Residues | 3 |
| Details | binding site for residue GD A 507 |
| Chain | Residue |
| A | BTB504 |
| A | HOH608 |
| A | HOH699 |
| site_id | AC8 |
| Number of Residues | 4 |
| Details | binding site for residue GD A 508 |
| Chain | Residue |
| A | GLU156 |
| A | GLN164 |
| A | BTB509 |
| F | GLU147 |
| site_id | AC9 |
| Number of Residues | 7 |
| Details | binding site for residue BTB A 509 |
| Chain | Residue |
| A | GLU156 |
| A | GLN164 |
| A | GD508 |
| A | HOH629 |
| B | BTB505 |
| F | GLY142 |
| F | GLU147 |
| site_id | AD1 |
| Number of Residues | 4 |
| Details | binding site for residue ZN A 510 |
| Chain | Residue |
| A | ASP369 |
| A | HOH735 |
| B | HIS461 |
| B | HOH744 |
| site_id | AD2 |
| Number of Residues | 17 |
| Details | binding site for residue HEM B 501 |
| Chain | Residue |
| B | TRP178 |
| B | ALA181 |
| B | ARG183 |
| B | CYS184 |
| B | SER226 |
| B | PHE353 |
| B | SER354 |
| B | TRP356 |
| B | MET358 |
| B | GLU361 |
| B | ARG365 |
| B | TRP447 |
| B | PHE473 |
| B | TYR475 |
| B | M16502 |
| B | HOH601 |
| B | HOH629 |
| site_id | AD3 |
| Number of Residues | 7 |
| Details | binding site for residue M16 B 502 |
| Chain | Residue |
| B | VAL336 |
| B | TRP356 |
| B | TYR357 |
| B | GLU361 |
| B | ARG365 |
| B | TYR475 |
| B | HEM501 |
| site_id | AD4 |
| Number of Residues | 9 |
| Details | binding site for residue M16 B 503 |
| Chain | Residue |
| A | TRP445 |
| A | PHE460 |
| A | HIS461 |
| B | VAL104 |
| B | HIS371 |
| B | ALA446 |
| B | TRP447 |
| B | HOH601 |
| B | HOH629 |
| site_id | AD5 |
| Number of Residues | 6 |
| Details | binding site for residue BTB B 504 |
| Chain | Residue |
| B | GD508 |
| B | HOH679 |
| C | ASN374 |
| C | ASP378 |
| B | THR319 |
| B | GLU321 |
| site_id | AD6 |
| Number of Residues | 5 |
| Details | binding site for residue BTB B 505 |
| Chain | Residue |
| A | BTB509 |
| B | GLU298 |
| B | GD509 |
| D | GLU167 |
| D | HOH643 |
| site_id | AD7 |
| Number of Residues | 1 |
| Details | binding site for residue BTB B 506 |
| Chain | Residue |
| B | GLU377 |
| site_id | AD8 |
| Number of Residues | 4 |
| Details | binding site for residue BTB B 507 |
| Chain | Residue |
| B | GLU154 |
| E | GLY237 |
| E | ARG238 |
| E | ASP297 |
| site_id | AD9 |
| Number of Residues | 5 |
| Details | binding site for residue GD B 508 |
| Chain | Residue |
| B | THR319 |
| B | GLU321 |
| B | BTB504 |
| B | HOH679 |
| C | HOH626 |
| site_id | AE1 |
| Number of Residues | 2 |
| Details | binding site for residue GD B 509 |
| Chain | Residue |
| B | BTB505 |
| D | GLU167 |
| site_id | AE2 |
| Number of Residues | 4 |
| Details | binding site for residue ZN B 510 |
| Chain | Residue |
| A | HIS461 |
| A | HOH732 |
| B | ASP369 |
| B | HOH740 |
| site_id | AE3 |
| Number of Residues | 13 |
| Details | binding site for residue HEM C 501 |
| Chain | Residue |
| C | TRP178 |
| C | ARG183 |
| C | CYS184 |
| C | SER226 |
| C | PHE353 |
| C | SER354 |
| C | TRP356 |
| C | GLU361 |
| C | ARG365 |
| C | TYR475 |
| C | M16502 |
| C | HOH601 |
| C | HOH603 |
| site_id | AE4 |
| Number of Residues | 7 |
| Details | binding site for residue M16 C 502 |
| Chain | Residue |
| C | VAL336 |
| C | PHE353 |
| C | TRP356 |
| C | TYR357 |
| C | GLU361 |
| C | ARG365 |
| C | HEM501 |
| site_id | AE5 |
| Number of Residues | 8 |
| Details | binding site for residue M16 C 503 |
| Chain | Residue |
| C | VAL104 |
| C | ALA446 |
| C | TRP447 |
| C | HOH601 |
| C | HOH603 |
| D | TRP74 |
| D | TRP445 |
| D | PHE460 |
| site_id | AE6 |
| Number of Residues | 8 |
| Details | binding site for residue BTB C 504 |
| Chain | Residue |
| B | LEU326 |
| B | ASP378 |
| B | CYS382 |
| C | TRP322 |
| C | CYS382 |
| C | ASP384 |
| C | GD509 |
| C | HOH638 |
| site_id | AE7 |
| Number of Residues | 1 |
| Details | binding site for residue BTB C 505 |
| Chain | Residue |
| C | GLU298 |
| site_id | AE8 |
| Number of Residues | 2 |
| Details | binding site for residue BTB C 506 |
| Chain | Residue |
| B | ASP384 |
| C | GLU377 |
| site_id | AE9 |
| Number of Residues | 4 |
| Details | binding site for residue ZN C 507 |
| Chain | Residue |
| C | CYS94 |
| C | CYS99 |
| D | CYS94 |
| D | CYS99 |
| site_id | AF1 |
| Number of Residues | 1 |
| Details | binding site for residue GOL C 508 |
| Chain | Residue |
| C | GLU167 |
| site_id | AF2 |
| Number of Residues | 3 |
| Details | binding site for residue GD C 509 |
| Chain | Residue |
| C | BTB504 |
| C | HOH638 |
| C | HOH677 |
| site_id | AF3 |
| Number of Residues | 4 |
| Details | binding site for residue ZN C 510 |
| Chain | Residue |
| C | ASP369 |
| C | HOH668 |
| C | HOH683 |
| D | HIS461 |
| site_id | AF4 |
| Number of Residues | 13 |
| Details | binding site for residue HEM D 501 |
| Chain | Residue |
| D | TRP178 |
| D | ARG183 |
| D | CYS184 |
| D | SER226 |
| D | PHE353 |
| D | SER354 |
| D | TRP356 |
| D | GLU361 |
| D | ARG365 |
| D | TRP447 |
| D | TYR475 |
| D | M16502 |
| D | HOH607 |
| site_id | AF5 |
| Number of Residues | 7 |
| Details | binding site for residue M16 D 502 |
| Chain | Residue |
| D | VAL336 |
| D | TRP356 |
| D | TYR357 |
| D | GLU361 |
| D | ARG365 |
| D | TYR475 |
| D | HEM501 |
| site_id | AF6 |
| Number of Residues | 5 |
| Details | binding site for residue M16 D 503 |
| Chain | Residue |
| C | PHE460 |
| D | VAL104 |
| D | ALA446 |
| D | TRP447 |
| D | HOH607 |
| site_id | AF7 |
| Number of Residues | 6 |
| Details | binding site for residue BTB D 504 |
| Chain | Residue |
| D | GLU321 |
| D | GD508 |
| D | HOH609 |
| D | HOH621 |
| E | ASN374 |
| E | ASP378 |
| site_id | AF8 |
| Number of Residues | 2 |
| Details | binding site for residue BTB D 505 |
| Chain | Residue |
| D | GLU298 |
| F | GLU167 |
| site_id | AF9 |
| Number of Residues | 5 |
| Details | binding site for residue BTB D 506 |
| Chain | Residue |
| C | GLY237 |
| C | ARG238 |
| C | ASP297 |
| D | ARG128 |
| D | GLU154 |
| site_id | AG1 |
| Number of Residues | 3 |
| Details | binding site for residue GD D 507 |
| Chain | Residue |
| D | HOH711 |
| E | BTB503 |
| E | HOH606 |
| site_id | AG2 |
| Number of Residues | 5 |
| Details | binding site for residue GD D 508 |
| Chain | Residue |
| D | THR319 |
| D | GLU321 |
| D | BTB504 |
| D | HOH609 |
| D | HOH621 |
| site_id | AG3 |
| Number of Residues | 4 |
| Details | binding site for residue ZN D 509 |
| Chain | Residue |
| C | HIS461 |
| C | HOH687 |
| D | ASP369 |
| D | HOH734 |
| site_id | AG4 |
| Number of Residues | 16 |
| Details | binding site for residue HEM E 501 |
| Chain | Residue |
| E | TRP178 |
| E | ARG183 |
| E | CYS184 |
| E | SER226 |
| E | PHE353 |
| E | SER354 |
| E | TRP356 |
| E | GLU361 |
| E | ARG365 |
| E | TRP447 |
| E | PHE473 |
| E | TYR475 |
| E | M16502 |
| E | HOH616 |
| E | HOH622 |
| F | HOH901 |
| site_id | AG5 |
| Number of Residues | 8 |
| Details | binding site for residue M16 E 502 |
| Chain | Residue |
| E | VAL336 |
| E | TRP356 |
| E | TYR357 |
| E | GLU361 |
| E | ARG365 |
| E | TYR475 |
| E | HEM501 |
| F | M16801 |
| site_id | AG6 |
| Number of Residues | 7 |
| Details | binding site for residue BTB E 503 |
| Chain | Residue |
| D | ALA325 |
| D | LEU326 |
| D | ASP378 |
| D | GD507 |
| E | TRP322 |
| E | CYS382 |
| E | ASP384 |
| site_id | AG7 |
| Number of Residues | 3 |
| Details | binding site for residue BTB E 504 |
| Chain | Residue |
| B | ASP129 |
| E | GLU298 |
| E | HOH702 |
| site_id | AG8 |
| Number of Residues | 3 |
| Details | binding site for residue BTB E 505 |
| Chain | Residue |
| D | ASP384 |
| E | GLU377 |
| E | ARG388 |
| site_id | AG9 |
| Number of Residues | 4 |
| Details | binding site for residue ZN E 506 |
| Chain | Residue |
| E | CYS94 |
| E | CYS99 |
| F | CYS94 |
| F | CYS99 |
| site_id | AH1 |
| Number of Residues | 1 |
| Details | binding site for residue GOL E 507 |
| Chain | Residue |
| E | GLU167 |
| site_id | AH2 |
| Number of Residues | 5 |
| Details | binding site for residue ZN E 508 |
| Chain | Residue |
| E | ARG365 |
| E | ASP369 |
| E | HOH715 |
| E | HOH719 |
| F | HIS461 |
| site_id | AH3 |
| Number of Residues | 10 |
| Details | binding site for residue M16 F 801 |
| Chain | Residue |
| E | VAL104 |
| E | PHE105 |
| E | ALA446 |
| E | TRP447 |
| E | M16502 |
| E | HOH622 |
| F | TRP74 |
| F | TRP445 |
| F | PHE460 |
| F | HOH901 |
| site_id | AH4 |
| Number of Residues | 13 |
| Details | binding site for residue HEM F 802 |
| Chain | Residue |
| F | TRP178 |
| F | ARG183 |
| F | CYS184 |
| F | SER226 |
| F | PHE353 |
| F | SER354 |
| F | TRP356 |
| F | GLU361 |
| F | ARG365 |
| F | TRP447 |
| F | TYR475 |
| F | M16803 |
| F | HOH905 |
| site_id | AH5 |
| Number of Residues | 8 |
| Details | binding site for residue M16 F 803 |
| Chain | Residue |
| F | VAL336 |
| F | TRP356 |
| F | TYR357 |
| F | GLU361 |
| F | ARG365 |
| F | TRP447 |
| F | TYR475 |
| F | HEM802 |
| site_id | AH6 |
| Number of Residues | 7 |
| Details | binding site for residue M16 F 804 |
| Chain | Residue |
| E | TRP445 |
| E | PHE460 |
| F | VAL104 |
| F | ALA446 |
| F | TRP447 |
| F | HOH905 |
| F | HOH912 |
| site_id | AH7 |
| Number of Residues | 8 |
| Details | binding site for residue BTB F 805 |
| Chain | Residue |
| A | ASN374 |
| A | GLU377 |
| A | ASP378 |
| A | HOH644 |
| F | THR319 |
| F | GLU321 |
| F | GD807 |
| F | HOH902 |
| site_id | AH8 |
| Number of Residues | 4 |
| Details | binding site for residue BTB F 806 |
| Chain | Residue |
| C | GLU156 |
| F | ASP297 |
| F | GLU298 |
| F | HOH1001 |
| site_id | AH9 |
| Number of Residues | 4 |
| Details | binding site for residue GD F 807 |
| Chain | Residue |
| F | THR319 |
| F | GLU321 |
| F | BTB805 |
| F | HOH902 |
| site_id | AI1 |
| Number of Residues | 4 |
| Details | binding site for residue ZN F 808 |
| Chain | Residue |
| E | HIS461 |
| E | HOH717 |
| F | ASP369 |
| F | HOH1065 |
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 | 12 |
| 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 | |
| E | CYS99 | |
| F | CYS94 | |
| F | CYS99 | |
| A | CYS99 | |
| B | CYS94 | |
| B | CYS99 | |
| C | CYS94 | |
| C | CYS99 | |
| D | CYS94 | |
| D | CYS99 | |
| E | CYS94 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 60 |
| 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 | |
| E | SER102 | |
| E | GLN247 | |
| E | TRP356 | |
| E | TYR357 | |
| E | GLU361 | |
| E | ASN366 | |
| E | ALA446 | |
| E | TRP447 | |
| E | PHE460 | |
| A | GLU361 | |
| E | TYR475 | |
| F | SER102 | |
| F | GLN247 | |
| F | TRP356 | |
| F | TYR357 | |
| F | GLU361 | |
| F | ASN366 | |
| F | ALA446 | |
| F | TRP447 | |
| F | PHE460 | |
| A | ASN366 | |
| F | TYR475 | |
| A | ALA446 | |
| A | TRP447 | |
| A | PHE460 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 6 |
| Details | BINDING: axial binding residue => ECO:0000269|PubMed:25286850, ECO:0007744|PDB:4D1O |
| Chain | Residue | Details |
| A | CYS184 | |
| B | CYS184 | |
| C | CYS184 | |
| D | CYS184 | |
| E | CYS184 | |
| F | CYS184 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 6 |
| 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 | |
| E | ARG365 | |
| F | ARG365 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 6 |
| Details | MOD_RES: Phosphoserine; by CDK5 => ECO:0000269|PubMed:20213743 |
| Chain | Residue | Details |
| A | SER114 | |
| B | SER114 | |
| C | SER114 | |
| D | SER114 | |
| E | SER114 | |
| F | 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 |
| site_id | MCSA5 |
| Number of Residues | 4 |
| Details | M-CSA 935 |
| Chain | Residue | Details |
| E | CYS184 | metal ligand |
| E | ARG187 | steric role |
| E | TRP356 | electrostatic stabiliser |
| E | GLU361 | electrostatic stabiliser |
| site_id | MCSA6 |
| Number of Residues | 4 |
| Details | M-CSA 935 |
| Chain | Residue | Details |
| F | CYS184 | metal ligand |
| F | ARG187 | steric role |
| F | TRP356 | electrostatic stabiliser |
| F | GLU361 | electrostatic stabiliser |
