eF-site ID 3rqp-B PDB Code 3rqp Chain B click to enlarge Title Structure of the endothelial nitric oxide synthase heme domain in complex with 6-{[(3R,4R)-4-(2-{[(2R/2S)-1-(3-fluorophenyl)propan-2-yl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine Classification OXIDOREDUCTASE/INHIBITOR Compound Nitric oxide synthase, endothelial Source null (NOS3_BOVIN) Sequence B:  KFPRVKNWELGSITYDTLCAQSQQDGPCTPRRCLGSLVLP RPAEQLLSQARDFINQYYSSIKRSGSQAHEERLQEVEAEV ASTGTYHLRESELVFGAKQAWRNAPRCVGRIQWGKLQVFD ARDCSSAQEMFTYICNHIKYATNRGNLRSAITVFPQRAPG RGDFRIWNSQLVRYAGYRQQDGSVRGDPANVEITELCIQH GWTPGNGRFDVLPLLLQAPDEAPELFVLPPELVLEVPLEH PTLEWFAALGLRWYALPAVSNMLLEIGGLEFSAAPFSGWY MSTEIGTRNLCDPHRYNILEDVAVCMDLDTRTTSSLWKDK AAVEINLAVLHSFQLAKVTIVDHHAATVSFMKHLDNEQKA RGGCPADWAWIVPPISGSLTPVFHQEMVNYILSPAFRYQP DPW Description Functional site 1) chain B residue 447 type sequence W description BINDING SITE FOR RESIDUE H4B A 600 source : AC2 2) chain B residue 462 type sequence F description BINDING SITE FOR RESIDUE H4B A 600 source : AC2 3) chain B residue 463 type sequence H description BINDING SITE FOR RESIDUE H4B A 600 source : AC2 4) chain B residue 464 type sequence Q description BINDING SITE FOR RESIDUE H4B A 600 source : AC2 5) chain B residue 96 type sequence C description BINDING SITE FOR RESIDUE ZN A 900 source : AC7 6) chain B residue 101 type sequence C description BINDING SITE FOR RESIDUE ZN A 900 source : AC7 7) chain B residue 180 type sequence W description BINDING SITE FOR RESIDUE HEM B 500 source : AC8 8) chain B residue 185 type sequence R description BINDING SITE FOR RESIDUE HEM B 500 source : AC8 9) chain B residue 186 type sequence C description BINDING SITE FOR RESIDUE HEM B 500 source : AC8 10) chain B residue 228 type sequence S description BINDING SITE FOR RESIDUE HEM B 500 source : AC8 11) chain B residue 355 type sequence F description BINDING SITE FOR RESIDUE HEM B 500 source : AC8 12) chain B residue 356 type sequence S description BINDING SITE FOR RESIDUE HEM B 500 source : AC8 13) chain B residue 358 type sequence W description BINDING SITE FOR RESIDUE HEM B 500 source : AC8 14) chain B residue 363 type sequence E description BINDING SITE FOR RESIDUE HEM B 500 source : AC8 15) chain B residue 475 type sequence F description BINDING SITE FOR RESIDUE HEM B 500 source : AC8 16) chain B residue 104 type sequence S description BINDING SITE FOR RESIDUE H4B B 600 source : AC9 17) chain B residue 367 type sequence R description BINDING SITE FOR RESIDUE H4B B 600 source : AC9 18) chain B residue 448 type sequence A description BINDING SITE FOR RESIDUE H4B B 600 source : AC9 19) chain B residue 449 type sequence W description BINDING SITE FOR RESIDUE H4B B 600 source : AC9 20) chain B residue 106 type sequence V description BINDING SITE FOR RESIDUE X2E B 805 source : BC1 21) chain B residue 107 type sequence L description BINDING SITE FOR RESIDUE X2E B 805 source : BC1 22) chain B residue 185 type sequence R description BINDING SITE FOR RESIDUE X2E B 805 source : BC1 23) chain B residue 249 type sequence Q description BINDING SITE FOR RESIDUE X2E B 805 source : BC1 24) chain B residue 336 type sequence P description BINDING SITE FOR RESIDUE X2E B 805 source : BC1 25) chain B residue 357 type sequence G description BINDING SITE FOR RESIDUE X2E B 805 source : BC1 26) chain B residue 358 type sequence W description BINDING SITE FOR RESIDUE X2E B 805 source : BC1 27) chain B residue 363 type sequence E description BINDING SITE FOR RESIDUE X2E B 805 source : BC1 28) chain B residue 449 type sequence W description BINDING SITE FOR RESIDUE X2E B 805 source : BC1 29) chain B residue 477 type sequence Y description BINDING SITE FOR RESIDUE X2E B 805 source : BC1 30) chain B residue 190 type sequence I description BINDING SITE FOR RESIDUE ACT B 860 source : BC2 31) chain B residue 358 type sequence W description BINDING SITE FOR RESIDUE ACT B 860 source : BC2 32) chain B residue 420 type sequence V description BINDING SITE FOR RESIDUE ACT B 860 source : BC2 33) chain B residue 428 type sequence S description BINDING SITE FOR RESIDUE ACT B 860 source : BC2 34) chain B residue 106 type sequence V description BINDING SITE FOR RESIDUE GOL B 880 source : BC3 35) chain B residue 367 type sequence R description BINDING SITE FOR RESIDUE GOL B 880 source : BC3 36) chain B residue 373 type sequence H description BINDING SITE FOR RESIDUE GOL B 880 source : BC3 37) chain B residue 83 type sequence Y description BINDING SITE FOR RESIDUE CAD B 950 source : BC4 38) chain B residue 324 type sequence W description BINDING SITE FOR RESIDUE CAD B 950 source : BC4 39) chain B residue 384 type sequence C description BINDING SITE FOR RESIDUE CAD B 950 source : BC4 40) chain B residue 186 type BINDING sequence C description axial binding residue => ECO:0000250|UniProtKB:P29474 source Swiss-Prot : SWS_FT_FI3 41) chain B residue 96 type BINDING sequence C description BINDING => ECO:0000250|UniProtKB:P35228 source Swiss-Prot : SWS_FT_FI1 42) chain B residue 101 type BINDING sequence C description BINDING => ECO:0000250|UniProtKB:P35228 source Swiss-Prot : SWS_FT_FI1 43) chain B residue 104 type BINDING sequence S description BINDING => ECO:0000250|UniProtKB:P29474 source Swiss-Prot : SWS_FT_FI2 44) chain B residue 249 type BINDING sequence Q description BINDING => ECO:0000250|UniProtKB:P29474 source Swiss-Prot : SWS_FT_FI2 45) chain B residue 358 type BINDING sequence W description BINDING => ECO:0000250|UniProtKB:P29474 source Swiss-Prot : SWS_FT_FI2 46) chain B residue 359 type BINDING sequence Y description BINDING => ECO:0000250|UniProtKB:P29474 source Swiss-Prot : SWS_FT_FI2 47) chain B residue 363 type BINDING sequence E description BINDING => ECO:0000250|UniProtKB:P29474 source Swiss-Prot : SWS_FT_FI2 48) chain B residue 368 type BINDING sequence N description BINDING => ECO:0000250|UniProtKB:P29474 source Swiss-Prot : SWS_FT_FI2 49) chain B residue 448 type BINDING sequence A description BINDING => ECO:0000250|UniProtKB:P29474 source Swiss-Prot : SWS_FT_FI2 50) chain B residue 449 type BINDING sequence W description BINDING => ECO:0000250|UniProtKB:P29474 source Swiss-Prot : SWS_FT_FI2 51) chain B residue 462 type BINDING sequence F description BINDING => ECO:0000250|UniProtKB:P29474 source Swiss-Prot : SWS_FT_FI2 52) chain B residue 477 type BINDING sequence Y description BINDING => ECO:0000250|UniProtKB:P29474 source Swiss-Prot : SWS_FT_FI2

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