eF-site ID 6av6-B PDB Code 6av6 Chain B click to enlarge Title Structure of human endothelial nitric oxide synthase heme domain in complex with 6-(3-Fluoro-5-(3-(methylamino)propyl)phenethyl)-4-methylpyridin-2-amine Classification OXIDOREDUCTASE Compound Nitric oxide synthase, endothelial Source (NOS3_HUMAN) Sequence B:  FPRVKNWEVGSITYDTLSAQAQQDGPCTPRRCLGSLVFPA PEQLLSQARDFINQYYSSIKRSGSQAHEQRLQEVEAEVAA TGTYQLRESELVFGAKQAWRNAPRCVGRIQWGKLQVFDAR DCRSAQEMFTYICNHIKYATNRGNLRSAITVFPQRCPGRG DFRIWNSQLVRYAGYRQQDGSVRGDPANVEITELCIQHGW TPGNGRFDVLPLLLQAPDEPPELFLLPPELVLEVPLEHPT LEWFAALGLRWYALPAVSNMLLEIGGLEFPAAPFSGWYMS TEIGTRNLCDPHRYNILEDVAVCMDLDTRTTSSLWKDKAA VEINVAVLHSYQLAKVTIVDHHAATASFMKHLENEQKARG GCPADWAWIVPPISGSLTPVFHQEMVNYFLSPAFRYQPDP W Description Functional site 1) chain B residue 94 type sequence C description binding site for residue ZN A 505 source : AC5 2) chain B residue 99 type sequence C description binding site for residue ZN A 505 source : AC5 3) chain B residue 445 type sequence W description binding site for residue H4B B 501 source : AC9 4) chain B residue 460 type sequence F description binding site for residue H4B B 501 source : AC9 5) chain B residue 461 type sequence H description binding site for residue H4B B 501 source : AC9 6) chain B residue 462 type sequence Q description binding site for residue H4B B 501 source : AC9 7) chain B residue 463 type sequence E description binding site for residue H4B B 501 source : AC9 8) chain B residue 178 type sequence W description binding site for residue HEM B 502 source : AD1 9) chain B residue 183 type sequence R description binding site for residue HEM B 502 source : AD1 10) chain B residue 184 type sequence C description binding site for residue HEM B 502 source : AD1 11) chain B residue 226 type sequence S description binding site for residue HEM B 502 source : AD1 12) chain B residue 353 type sequence F description binding site for residue HEM B 502 source : AD1 13) chain B residue 354 type sequence S description binding site for residue HEM B 502 source : AD1 14) chain B residue 355 type sequence G description binding site for residue HEM B 502 source : AD1 15) chain B residue 356 type sequence W description binding site for residue HEM B 502 source : AD1 16) chain B residue 358 type sequence M description binding site for residue HEM B 502 source : AD1 17) chain B residue 361 type sequence E description binding site for residue HEM B 502 source : AD1 18) chain B residue 447 type sequence W description binding site for residue HEM B 502 source : AD1 19) chain B residue 473 type sequence F description binding site for residue HEM B 502 source : AD1 20) chain B residue 475 type sequence Y description binding site for residue HEM B 502 source : AD1 21) chain B residue 102 type sequence S description binding site for residue H4B B 503 source : AD2 22) chain B residue 365 type sequence R description binding site for residue H4B B 503 source : AD2 23) chain B residue 446 type sequence A description binding site for residue H4B B 503 source : AD2 24) chain B residue 447 type sequence W description binding site for residue H4B B 503 source : AD2 25) chain B residue 105 type sequence F description binding site for residue W68 B 504 source : AD3 26) chain B residue 336 type sequence V description binding site for residue W68 B 504 source : AD3 27) chain B residue 356 type sequence W description binding site for residue W68 B 504 source : AD3 28) chain B residue 361 type sequence E description binding site for residue W68 B 504 source : AD3 29) chain B residue 475 type sequence Y description binding site for residue W68 B 504 source : AD3 30) chain B residue 319 type sequence T description binding site for residue BTB B 505 source : AD4 31) chain B residue 321 type sequence E description binding site for residue BTB B 505 source : AD4 32) chain B residue 297 type sequence D description binding site for residue BTB B 506 source : AD5 33) chain B residue 298 type sequence E description binding site for residue BTB B 506 source : AD5 34) chain B residue 247 type sequence Q description binding site for residue CL B 507 source : AD6 35) chain B residue 357 type sequence Y description binding site for residue CL B 507 source : AD6 36) chain B residue 366 type sequence N description binding site for residue CL B 507 source : AD6 37) chain B residue 319 type sequence T description binding site for residue GD B 508 source : AD7 38) chain B residue 321 type sequence E description binding site for residue GD B 508 source : AD7 39) chain B residue 325 type sequence A description binding site for residue BTB B 509 source : AD8 40) chain B residue 326 type sequence L description binding site for residue BTB B 509 source : AD8 41) chain B residue 378 type sequence D description binding site for residue BTB B 509 source : AD8 42) chain B residue 384 type sequence D description binding site for residue BTB B 510 source : AD9 43) chain B residue 102 type BINDING sequence S description BINDING => ECO:0000269|PubMed:25286850, ECO:0007744|PDB:4D1O source Swiss-Prot : SWS_FT_FI2 44) chain B residue 247 type BINDING sequence Q description BINDING => ECO:0000269|PubMed:25286850, ECO:0007744|PDB:4D1O source Swiss-Prot : SWS_FT_FI2 45) chain B residue 356 type BINDING sequence W description BINDING => ECO:0000269|PubMed:25286850, ECO:0007744|PDB:4D1O source Swiss-Prot : SWS_FT_FI2 46) chain B residue 357 type BINDING sequence Y description BINDING => ECO:0000269|PubMed:25286850, ECO:0007744|PDB:4D1O source Swiss-Prot : SWS_FT_FI2 47) chain B residue 361 type BINDING sequence E description BINDING => ECO:0000269|PubMed:25286850, ECO:0007744|PDB:4D1O source Swiss-Prot : SWS_FT_FI2 48) chain B residue 366 type BINDING sequence N description BINDING => ECO:0000269|PubMed:25286850, ECO:0007744|PDB:4D1O source Swiss-Prot : SWS_FT_FI2 49) chain B residue 446 type BINDING sequence A description BINDING => ECO:0000269|PubMed:25286850, ECO:0007744|PDB:4D1O source Swiss-Prot : SWS_FT_FI2 50) chain B residue 447 type BINDING sequence W description BINDING => ECO:0000269|PubMed:25286850, ECO:0007744|PDB:4D1O source Swiss-Prot : SWS_FT_FI2 51) chain B residue 460 type BINDING sequence F description BINDING => ECO:0000269|PubMed:25286850, ECO:0007744|PDB:4D1O source Swiss-Prot : SWS_FT_FI2 52) chain B residue 475 type BINDING sequence Y description BINDING => ECO:0000269|PubMed:25286850, ECO:0007744|PDB:4D1O source Swiss-Prot : SWS_FT_FI2 53) chain B residue 184 type BINDING sequence C description axial binding residue => ECO:0000269|PubMed:25286850, ECO:0007744|PDB:4D1O source Swiss-Prot : SWS_FT_FI3 54) chain B residue 184 type catalytic sequence C description 935 source MCSA : MCSA2 55) chain B residue 187 type catalytic sequence R description 935 source MCSA : MCSA2 56) chain B residue 356 type catalytic sequence W description 935 source MCSA : MCSA2 57) chain B residue 361 type catalytic sequence E description 935 source MCSA : MCSA2 58) chain B residue 365 type BINDING sequence R description BINDING => ECO:0000269|PubMed:10074942, ECO:0000269|PubMed:25286850, ECO:0007744|PDB:3NOS, ECO:0007744|PDB:4D1O, ECO:0007744|PDB:4D1P source Swiss-Prot : SWS_FT_FI4 59) chain B residue 94 type BINDING sequence C description 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 source Swiss-Prot : SWS_FT_FI1 60) chain B residue 99 type BINDING sequence C description 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 source Swiss-Prot : SWS_FT_FI1

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