eF-site ID 3nlu-AB PDB Code 3nlu Chain A, B click to enlarge Title Structure of endothelial nitric oxide synthase heme domain complexed with N1-{(3'R,4'R)-4'-[(6"-amino-4"-methylpyridin-2"-yl)methyl]pyrrolidin-3'-yl}-N2-(3'-fluorophenethyl)ethane-1,2-diamine tetrahydrochloride Classification OXIDOREDUCTASE Compound Nitric oxide synthase, endothelial Source (NOS3_BOVIN) Sequence A:  GPKFPRVKNWELGSITYDTLCAQSQQDGPCTPRRCLGSLV LPRPAEQLLSQARDFINQYYSSIKRSGSQAHEERLQEVEA EVASTGTYHLRESELVFGAKQAWRNAPRCVGRIQWGKLQV FDARDCSSAQEMFTYICNHIKYATNRGNLRSAITVFPQRA PGRGDFRIWNSQLVRYAGYRQQDGSVRGDPANVEITELCI QHGWTPGNGRFDVLPLLLQAPDEAPELFVLPPELVLEVPL EHPTLEWFAALGLRWYALPAVSNMLLEIGGLEFSAAPFSG WYMSTEIGTRNLCDPHRYNILEDVAVCMDLDTRTTSSLWK DKAAVEINLAVLHSFQLAKVTIVDHHAATVSFMKHLDNEQ KARGGCPADWAWIVPPISGSLTPVFHQEMVNYILSPAFRY QPDPW B:  KFPRVKNWELGSITYDTLCAQSQQDGPCTPRRCLGSLVLP RPAEQLLSQARDFINQYYSSIKRSGSQAHEERLQEVEAEV ASTGTYHLRESELVFGAKQAWRNAPRCVGRIQWGKLQVFD ARDCSSAQEMFTYICNHIKYATNRGNLRSAITVFPQRAPG RGDFRIWNSQLVRYAGYRQQDGSVRGDPANVEITELCIQH GWTPGNGRFDVLPLLLQAPDEAPELFVLPPELVLEVPLEH PTLEWFAALGLRWYALPAVSNMLLEIGGLEFSAAPFSGWY MSTEIGTRNLCDPHRYNILEDVAVCMDLDTRTTSSLWKDK AAVEINLAVLHSFQLAKVTIVDHHAATVSFMKHLDNEQKA RGGCPADWAWIVPPISGSLTPVFHQEMVNYILSPAFRYQP DPW Description Functional site 1) chain A residue 180 type sequence W description BINDING SITE FOR RESIDUE HEM A 500 source : AC1 2) chain A residue 185 type sequence R description BINDING SITE FOR RESIDUE HEM A 500 source : AC1 3) chain A residue 186 type sequence C description BINDING SITE FOR RESIDUE HEM A 500 source : AC1 4) chain A residue 228 type sequence S description BINDING SITE FOR RESIDUE HEM A 500 source : AC1 5) chain A residue 355 type sequence F description BINDING SITE FOR RESIDUE HEM A 500 source : AC1 6) chain A residue 356 type sequence S description BINDING SITE FOR RESIDUE HEM A 500 source : AC1 7) chain A residue 358 type sequence W description BINDING SITE FOR RESIDUE HEM A 500 source : AC1 8) chain A residue 363 type sequence E description BINDING SITE FOR RESIDUE HEM A 500 source : AC1 9) chain A residue 475 type sequence F description BINDING SITE FOR RESIDUE HEM A 500 source : AC1 10) chain A residue 104 type sequence S description BINDING SITE FOR RESIDUE H4B A 600 source : AC2 11) chain A residue 367 type sequence R description BINDING SITE FOR RESIDUE H4B A 600 source : AC2 12) chain A residue 448 type sequence A description BINDING SITE FOR RESIDUE H4B A 600 source : AC2 13) chain A residue 449 type sequence W description BINDING SITE FOR RESIDUE H4B A 600 source : AC2 14) chain B residue 447 type sequence W description BINDING SITE FOR RESIDUE H4B A 600 source : AC2 15) chain B residue 462 type sequence F description BINDING SITE FOR RESIDUE H4B A 600 source : AC2 16) chain B residue 463 type sequence H description BINDING SITE FOR RESIDUE H4B A 600 source : AC2 17) chain B residue 464 type sequence Q description BINDING SITE FOR RESIDUE H4B A 600 source : AC2 18) chain B residue 465 type sequence E description BINDING SITE FOR RESIDUE H4B A 600 source : AC2 19) chain A residue 358 type sequence W description BINDING SITE FOR RESIDUE ACT A 860 source : AC3 20) chain A residue 428 type sequence S description BINDING SITE FOR RESIDUE ACT A 860 source : AC3 21) chain A residue 367 type sequence R description BINDING SITE FOR RESIDUE GOL A 880 source : AC4 22) chain A residue 373 type sequence H description BINDING SITE FOR RESIDUE GOL A 880 source : AC4 23) chain B residue 76 type sequence W description BINDING SITE FOR RESIDUE GOL A 880 source : AC4 24) chain B residue 463 type sequence H description BINDING SITE FOR RESIDUE GOL A 880 source : AC4 25) chain A residue 249 type sequence Q description BINDING SITE FOR RESIDUE 3XB A 800 source : AC5 26) chain A residue 338 type sequence V description BINDING SITE FOR RESIDUE 3XB A 800 source : AC5 27) chain A residue 355 type sequence F description BINDING SITE FOR RESIDUE 3XB A 800 source : AC5 28) chain A residue 357 type sequence G description BINDING SITE FOR RESIDUE 3XB A 800 source : AC5 29) chain A residue 358 type sequence W description BINDING SITE FOR RESIDUE 3XB A 800 source : AC5 30) chain A residue 359 type sequence Y description BINDING SITE FOR RESIDUE 3XB A 800 source : AC5 31) chain A residue 363 type sequence E description BINDING SITE FOR RESIDUE 3XB A 800 source : AC5 32) chain A residue 449 type sequence W description BINDING SITE FOR RESIDUE 3XB A 800 source : AC5 33) chain A residue 477 type sequence Y description BINDING SITE FOR RESIDUE 3XB A 800 source : AC5 34) chain A residue 384 type sequence C description BINDING SITE FOR RESIDUE CAD A 950 source : AC6 35) chain A residue 439 type sequence A description BINDING SITE FOR RESIDUE CAD A 950 source : AC6 36) chain A residue 440 type sequence R description BINDING SITE FOR RESIDUE CAD A 950 source : AC6 37) chain A residue 441 type sequence G description BINDING SITE FOR RESIDUE CAD A 950 source : AC6 38) chain A residue 96 type sequence C description BINDING SITE FOR RESIDUE ZN A 900 source : AC7 39) chain A residue 101 type sequence C description BINDING SITE FOR RESIDUE ZN A 900 source : AC7 40) chain B residue 96 type sequence C description BINDING SITE FOR RESIDUE ZN A 900 source : AC7 41) chain B residue 101 type sequence C description BINDING SITE FOR RESIDUE ZN A 900 source : AC7 42) chain B residue 180 type sequence W description BINDING SITE FOR RESIDUE HEM B 500 source : AC8 43) chain B residue 185 type sequence R description BINDING SITE FOR RESIDUE HEM B 500 source : AC8 44) chain B residue 186 type sequence C description BINDING SITE FOR RESIDUE HEM B 500 source : AC8 45) chain B residue 355 type sequence F description BINDING SITE FOR RESIDUE HEM B 500 source : AC8 46) chain B residue 356 type sequence S description BINDING SITE FOR RESIDUE HEM B 500 source : AC8 47) chain B residue 358 type sequence W description BINDING SITE FOR RESIDUE HEM B 500 source : AC8 48) chain B residue 363 type sequence E description BINDING SITE FOR RESIDUE HEM B 500 source : AC8 49) chain B residue 475 type sequence F description BINDING SITE FOR RESIDUE HEM B 500 source : AC8 50) chain A residue 447 type sequence W description BINDING SITE FOR RESIDUE H4B B 600 source : AC9 51) chain A residue 462 type sequence F description BINDING SITE FOR RESIDUE H4B B 600 source : AC9 52) chain B residue 104 type sequence S description BINDING SITE FOR RESIDUE H4B B 600 source : AC9 53) chain B residue 367 type sequence R description BINDING SITE FOR RESIDUE H4B B 600 source : AC9 54) chain B residue 448 type sequence A description BINDING SITE FOR RESIDUE H4B B 600 source : AC9 55) chain B residue 449 type sequence W description BINDING SITE FOR RESIDUE H4B B 600 source : AC9 56) chain B residue 106 type sequence V description BINDING SITE FOR RESIDUE GOL B 880 source : BC1 57) chain B residue 367 type sequence R description BINDING SITE FOR RESIDUE GOL B 880 source : BC1 58) chain B residue 373 type sequence H description BINDING SITE FOR RESIDUE GOL B 880 source : BC1 59) chain B residue 185 type sequence R description BINDING SITE FOR RESIDUE 3XB B 800 source : BC2 60) chain B residue 249 type sequence Q description BINDING SITE FOR RESIDUE 3XB B 800 source : BC2 61) chain B residue 338 type sequence V description BINDING SITE FOR RESIDUE 3XB B 800 source : BC2 62) chain B residue 357 type sequence G description BINDING SITE FOR RESIDUE 3XB B 800 source : BC2 63) chain B residue 358 type sequence W description BINDING SITE FOR RESIDUE 3XB B 800 source : BC2 64) chain B residue 363 type sequence E description BINDING SITE FOR RESIDUE 3XB B 800 source : BC2 65) chain B residue 449 type sequence W description BINDING SITE FOR RESIDUE 3XB B 800 source : BC2 66) chain B residue 477 type sequence Y description BINDING SITE FOR RESIDUE 3XB B 800 source : BC2 67) chain B residue 70 type sequence F description BINDING SITE FOR RESIDUE CAD B 950 source : BC3 68) chain B residue 83 type sequence Y description BINDING SITE FOR RESIDUE CAD B 950 source : BC3 69) chain B residue 324 type sequence W description BINDING SITE FOR RESIDUE CAD B 950 source : BC3 70) chain B residue 384 type sequence C description BINDING SITE FOR RESIDUE CAD B 950 source : BC3 71) chain A residue 185-192 type prosite sequence RCVGRIQW description NOS Nitric oxide synthase (NOS) signature. RCVGRIqW source prosite : PS60001 72) chain A residue 186 type BINDING sequence C description axial binding residue => ECO:0000250|UniProtKB:P29474 source Swiss-Prot : SWS_FT_FI3 73) chain B residue 186 type BINDING sequence C description axial binding residue => ECO:0000250|UniProtKB:P29474 source Swiss-Prot : SWS_FT_FI3 74) chain A residue 96 type BINDING sequence C description BINDING => ECO:0000250|UniProtKB:P35228 source Swiss-Prot : SWS_FT_FI1 75) chain A residue 101 type BINDING sequence C description BINDING => ECO:0000250|UniProtKB:P35228 source Swiss-Prot : SWS_FT_FI1 76) chain B residue 96 type BINDING sequence C description BINDING => ECO:0000250|UniProtKB:P35228 source Swiss-Prot : SWS_FT_FI1 77) chain B residue 101 type BINDING sequence C description BINDING => ECO:0000250|UniProtKB:P35228 source Swiss-Prot : SWS_FT_FI1 78) chain A residue 104 type BINDING sequence S description BINDING => ECO:0000250|UniProtKB:P29474 source Swiss-Prot : SWS_FT_FI2 79) chain A residue 249 type BINDING sequence Q description BINDING => ECO:0000250|UniProtKB:P29474 source Swiss-Prot : SWS_FT_FI2 80) chain A residue 477 type BINDING sequence Y description BINDING => ECO:0000250|UniProtKB:P29474 source Swiss-Prot : SWS_FT_FI2 81) chain B residue 104 type BINDING sequence S description BINDING => ECO:0000250|UniProtKB:P29474 source Swiss-Prot : SWS_FT_FI2 82) chain B residue 249 type BINDING sequence Q description BINDING => ECO:0000250|UniProtKB:P29474 source Swiss-Prot : SWS_FT_FI2 83) chain B residue 358 type BINDING sequence W description BINDING => ECO:0000250|UniProtKB:P29474 source Swiss-Prot : SWS_FT_FI2 84) chain B residue 359 type BINDING sequence Y description BINDING => ECO:0000250|UniProtKB:P29474 source Swiss-Prot : SWS_FT_FI2 85) chain B residue 363 type BINDING sequence E description BINDING => ECO:0000250|UniProtKB:P29474 source Swiss-Prot : SWS_FT_FI2 86) chain B residue 368 type BINDING sequence N description BINDING => ECO:0000250|UniProtKB:P29474 source Swiss-Prot : SWS_FT_FI2 87) chain B residue 448 type BINDING sequence A description BINDING => ECO:0000250|UniProtKB:P29474 source Swiss-Prot : SWS_FT_FI2 88) chain B residue 449 type BINDING sequence W description BINDING => ECO:0000250|UniProtKB:P29474 source Swiss-Prot : SWS_FT_FI2 89) chain B residue 462 type BINDING sequence F description BINDING => ECO:0000250|UniProtKB:P29474 source Swiss-Prot : SWS_FT_FI2 90) chain B residue 477 type BINDING sequence Y description BINDING => ECO:0000250|UniProtKB:P29474 source Swiss-Prot : SWS_FT_FI2 91) chain A residue 358 type BINDING sequence W description BINDING => ECO:0000250|UniProtKB:P29474 source Swiss-Prot : SWS_FT_FI2 92) chain A residue 359 type BINDING sequence Y description BINDING => ECO:0000250|UniProtKB:P29474 source Swiss-Prot : SWS_FT_FI2 93) chain A residue 363 type BINDING sequence E description BINDING => ECO:0000250|UniProtKB:P29474 source Swiss-Prot : SWS_FT_FI2 94) chain A residue 368 type BINDING sequence N description BINDING => ECO:0000250|UniProtKB:P29474 source Swiss-Prot : SWS_FT_FI2 95) chain A residue 448 type BINDING sequence A description BINDING => ECO:0000250|UniProtKB:P29474 source Swiss-Prot : SWS_FT_FI2 96) chain A residue 449 type BINDING sequence W description BINDING => ECO:0000250|UniProtKB:P29474 source Swiss-Prot : SWS_FT_FI2 97) chain A residue 462 type BINDING sequence F description BINDING => ECO:0000250|UniProtKB:P29474 source Swiss-Prot : SWS_FT_FI2

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