eF-site ID 4lux-AB PDB Code 4lux Chain A, B click to enlarge Title Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-((((3R,5S)-5-(((6-amino-4-methylpyridin-2-yl)methoxy)methyl)pyrrolidin-3-yl)oxy)methyl)-4-methylpyridin-2-amine Classification OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR Compound Nitric oxide synthase, brain Source Rattus norvegicus (Rat) (NOS1_RAT) Sequence A:  RFLKVKNWETDVVLTDTLHLKSTLETGCTEHICMGSIMLP TKDQLFPLAKEFLDQYYSSIKRFGSKAHMDRLEEVNKEIE STSTYQLKDTELIYGAKHAWRNASRCVGRIQWSKLQVFDA RDCTTAHGMFNYICNHVKYATNKGNLRSAITIFPQRTDGK HDFRVWNSQLIRYAGYKQPDGSTLGDPANVQFTEICIQQG WKAPRGRFDVLPLLLQANGNDPELFQIPPELVLEVPIRHP KFDWFKDLGLKWYGLPAVSNMLLEIGGLEFSACPFSGWYM GTEIGVRDYCDNSRYNILEEVAKKMDLDMRKTSSLWKDQA LVEINIAVLYSFQSDKVTIVDHHSATESFIKHMENEYRCR GGCPADWVWIVPPMSGSITPVFHQEMLNYRLTPSFEYQPD PWNTHVW B:  RFLKVKNWETDVVLTDTLHLKSTLETGCTEHICMGSIMLP VRTKDQLFPLAKEFLDQYYSSIKRFGSKAHMDRLEEVNKE IESTSTYQLKDTELIYGAKHAWRNASRCVGRIQWSKLQVF DARDCTTAHGMFNYICNHVKYATNKGNLRSAITIFPQRTD GKHDFRVWNSQLIRYAGYKQPDGSTLGDPANVQFTEICIQ QGWKAPRGRFDVLPLLLQANGNDPELFQIPPELVLEVPIR HPKFDWFKDLGLKWYGLPAVSNMLLEIGGLEFSACPFSGW YMGTEIGVRDYCDNSRYNILEEVAKKMDLDMRKTSSLWKD QALVEINIAVLYSFQSDKVTIVDHHSATESFIKHMENEYR CRGGCPADWVWIVPPMSGSITPVFHQEMLNYRLTPSFEYQ PDPWNTHVWKG Description Functional site 1) chain A residue 409 type sequence W description BINDING SITE FOR RESIDUE HEM A 801 source : AC1 2) chain A residue 415 type sequence C description BINDING SITE FOR RESIDUE HEM A 801 source : AC1 3) chain A residue 457 type sequence S description BINDING SITE FOR RESIDUE HEM A 801 source : AC1 4) chain A residue 584 type sequence F description BINDING SITE FOR RESIDUE HEM A 801 source : AC1 5) chain A residue 585 type sequence S description BINDING SITE FOR RESIDUE HEM A 801 source : AC1 6) chain A residue 586 type sequence G description BINDING SITE FOR RESIDUE HEM A 801 source : AC1 7) chain A residue 587 type sequence W description BINDING SITE FOR RESIDUE HEM A 801 source : AC1 8) chain A residue 592 type sequence E description BINDING SITE FOR RESIDUE HEM A 801 source : AC1 9) chain A residue 678 type sequence W description BINDING SITE FOR RESIDUE HEM A 801 source : AC1 10) chain A residue 704 type sequence F description BINDING SITE FOR RESIDUE HEM A 801 source : AC1 11) chain A residue 334 type sequence S description BINDING SITE FOR RESIDUE H4B A 802 source : AC2 12) chain A residue 596 type sequence R description BINDING SITE FOR RESIDUE H4B A 802 source : AC2 13) chain A residue 677 type sequence V description BINDING SITE FOR RESIDUE H4B A 802 source : AC2 14) chain A residue 678 type sequence W description BINDING SITE FOR RESIDUE H4B A 802 source : AC2 15) chain B residue 676 type sequence W description BINDING SITE FOR RESIDUE H4B A 802 source : AC2 16) chain B residue 691 type sequence F description BINDING SITE FOR RESIDUE H4B A 802 source : AC2 17) chain B residue 692 type sequence H description BINDING SITE FOR RESIDUE H4B A 802 source : AC2 18) chain B residue 693 type sequence Q description BINDING SITE FOR RESIDUE H4B A 802 source : AC2 19) chain B residue 694 type sequence E description BINDING SITE FOR RESIDUE H4B A 802 source : AC2 20) chain A residue 337 type sequence L description BINDING SITE FOR RESIDUE QJ8 A 803 source : AC3 21) chain A residue 414 type sequence R description BINDING SITE FOR RESIDUE QJ8 A 803 source : AC3 22) chain A residue 567 type sequence V description BINDING SITE FOR RESIDUE QJ8 A 803 source : AC3 23) chain A residue 584 type sequence F description BINDING SITE FOR RESIDUE QJ8 A 803 source : AC3 24) chain A residue 587 type sequence W description BINDING SITE FOR RESIDUE QJ8 A 803 source : AC3 25) chain A residue 592 type sequence E description BINDING SITE FOR RESIDUE QJ8 A 803 source : AC3 26) chain A residue 587 type sequence W description BINDING SITE FOR RESIDUE ACT A 804 source : AC4 27) chain A residue 326 type sequence C description BINDING SITE FOR RESIDUE ZN A 805 source : AC5 28) chain A residue 331 type sequence C description BINDING SITE FOR RESIDUE ZN A 805 source : AC5 29) chain B residue 326 type sequence C description BINDING SITE FOR RESIDUE ZN A 805 source : AC5 30) chain B residue 331 type sequence C description BINDING SITE FOR RESIDUE ZN A 805 source : AC5 31) chain B residue 409 type sequence W description BINDING SITE FOR RESIDUE HEM B 801 source : AC6 32) chain B residue 414 type sequence R description BINDING SITE FOR RESIDUE HEM B 801 source : AC6 33) chain B residue 415 type sequence C description BINDING SITE FOR RESIDUE HEM B 801 source : AC6 34) chain B residue 457 type sequence S description BINDING SITE FOR RESIDUE HEM B 801 source : AC6 35) chain B residue 584 type sequence F description BINDING SITE FOR RESIDUE HEM B 801 source : AC6 36) chain B residue 585 type sequence S description BINDING SITE FOR RESIDUE HEM B 801 source : AC6 37) chain B residue 587 type sequence W description BINDING SITE FOR RESIDUE HEM B 801 source : AC6 38) chain B residue 592 type sequence E description BINDING SITE FOR RESIDUE HEM B 801 source : AC6 39) chain A residue 676 type sequence W description BINDING SITE FOR RESIDUE H4B B 802 source : AC7 40) chain A residue 691 type sequence F description BINDING SITE FOR RESIDUE H4B B 802 source : AC7 41) chain A residue 692 type sequence H description BINDING SITE FOR RESIDUE H4B B 802 source : AC7 42) chain A residue 694 type sequence E description BINDING SITE FOR RESIDUE H4B B 802 source : AC7 43) chain B residue 334 type sequence S description BINDING SITE FOR RESIDUE H4B B 802 source : AC7 44) chain B residue 596 type sequence R description BINDING SITE FOR RESIDUE H4B B 802 source : AC7 45) chain B residue 677 type sequence V description BINDING SITE FOR RESIDUE H4B B 802 source : AC7 46) chain B residue 678 type sequence W description BINDING SITE FOR RESIDUE H4B B 802 source : AC7 47) chain B residue 337 type sequence L description BINDING SITE FOR RESIDUE QJ8 B 803 source : AC8 48) chain B residue 414 type sequence R description BINDING SITE FOR RESIDUE QJ8 B 803 source : AC8 49) chain B residue 478 type sequence Q description BINDING SITE FOR RESIDUE QJ8 B 803 source : AC8 50) chain B residue 567 type sequence V description BINDING SITE FOR RESIDUE QJ8 B 803 source : AC8 51) chain B residue 584 type sequence F description BINDING SITE FOR RESIDUE QJ8 B 803 source : AC8 52) chain B residue 587 type sequence W description BINDING SITE FOR RESIDUE QJ8 B 803 source : AC8 53) chain B residue 592 type sequence E description BINDING SITE FOR RESIDUE QJ8 B 803 source : AC8 54) chain B residue 706 type sequence Y description BINDING SITE FOR RESIDUE QJ8 B 803 source : AC8 55) chain B residue 587 type sequence W description BINDING SITE FOR RESIDUE ACT B 804 source : AC9 56) chain B residue 649 type sequence V description BINDING SITE FOR RESIDUE ACT B 804 source : AC9 57) chain B residue 334 type BINDING sequence S description BINDING => ECO:0000250|UniProtKB:P29475 source Swiss-Prot : SWS_FT_FI1 58) chain B residue 478 type BINDING sequence Q description BINDING => ECO:0000250|UniProtKB:P29475 source Swiss-Prot : SWS_FT_FI1 59) chain B residue 587 type BINDING sequence W description BINDING => ECO:0000250|UniProtKB:P29475 source Swiss-Prot : SWS_FT_FI1 60) chain B residue 588 type BINDING sequence Y description BINDING => ECO:0000250|UniProtKB:P29475 source Swiss-Prot : SWS_FT_FI1 61) chain B residue 592 type BINDING sequence E description BINDING => ECO:0000250|UniProtKB:P29475 source Swiss-Prot : SWS_FT_FI1 62) chain B residue 677 type BINDING sequence V description BINDING => ECO:0000250|UniProtKB:P29475 source Swiss-Prot : SWS_FT_FI1 63) chain B residue 678 type BINDING sequence W description BINDING => ECO:0000250|UniProtKB:P29475 source Swiss-Prot : SWS_FT_FI1 64) chain B residue 691 type BINDING sequence F description BINDING => ECO:0000250|UniProtKB:P29475 source Swiss-Prot : SWS_FT_FI1 65) chain B residue 706 type BINDING sequence Y description BINDING => ECO:0000250|UniProtKB:P29475 source Swiss-Prot : SWS_FT_FI1 66) chain A residue 587 type BINDING sequence W description BINDING => ECO:0000250|UniProtKB:P29475 source Swiss-Prot : SWS_FT_FI1 67) chain A residue 588 type BINDING sequence Y description BINDING => ECO:0000250|UniProtKB:P29475 source Swiss-Prot : SWS_FT_FI1 68) chain A residue 592 type BINDING sequence E description BINDING => ECO:0000250|UniProtKB:P29475 source Swiss-Prot : SWS_FT_FI1 69) chain A residue 677 type BINDING sequence V description BINDING => ECO:0000250|UniProtKB:P29475 source Swiss-Prot : SWS_FT_FI1 70) chain A residue 678 type BINDING sequence W description BINDING => ECO:0000250|UniProtKB:P29475 source Swiss-Prot : SWS_FT_FI1 71) chain A residue 691 type BINDING sequence F description BINDING => ECO:0000250|UniProtKB:P29475 source Swiss-Prot : SWS_FT_FI1 72) chain A residue 706 type BINDING sequence Y description BINDING => ECO:0000250|UniProtKB:P29475 source Swiss-Prot : SWS_FT_FI1 73) chain A residue 478 type BINDING sequence Q description BINDING => ECO:0000250|UniProtKB:P29475 source Swiss-Prot : SWS_FT_FI1 74) chain A residue 334 type BINDING sequence S description BINDING => ECO:0000250|UniProtKB:P29475 source Swiss-Prot : SWS_FT_FI1 75) chain A residue 414-421 type prosite sequence RCVGRIQW description NOS Nitric oxide synthase (NOS) signature. RCVGRIqW source prosite : PS60001 76) chain B residue 415 type BINDING sequence C description axial binding residue => ECO:0000250|UniProtKB:P29475 source Swiss-Prot : SWS_FT_FI2 77) chain A residue 415 type BINDING sequence C description axial binding residue => ECO:0000250|UniProtKB:P29475 source Swiss-Prot : SWS_FT_FI2

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