eF-site ID 3b3m-AB PDB Code 3b3m Chain A, B click to enlarge Title Structure of neuronal NOS heme domain in complex with a inhibitor (+-)-3-{cis-4'-[(6"-aminopyridin-2"-yl)methyl]pyrrolidin-3'-ylamino}propan-1-ol Classification OXIDOREDUCTASE Compound Nitric-oxide synthase Source null (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 420 type sequence Q description BINDING SITE FOR RESIDUE ACT A 860 source : AC1 2) chain A residue 587 type sequence W description BINDING SITE FOR RESIDUE ACT A 860 source : AC1 3) chain A residue 657 type sequence S description BINDING SITE FOR RESIDUE ACT A 860 source : AC1 4) chain B residue 587 type sequence W description BINDING SITE FOR RESIDUE ACT B 860 source : AC2 5) chain A residue 326 type sequence C description BINDING SITE FOR RESIDUE ZN A 900 source : AC3 6) chain A residue 331 type sequence C description BINDING SITE FOR RESIDUE ZN A 900 source : AC3 7) chain B residue 326 type sequence C description BINDING SITE FOR RESIDUE ZN A 900 source : AC3 8) chain B residue 331 type sequence C description BINDING SITE FOR RESIDUE ZN A 900 source : AC3 9) chain A residue 409 type sequence W description BINDING SITE FOR RESIDUE HEM A 750 source : AC4 10) chain A residue 414 type sequence R description BINDING SITE FOR RESIDUE HEM A 750 source : AC4 11) chain A residue 415 type sequence C description BINDING SITE FOR RESIDUE HEM A 750 source : AC4 12) chain A residue 457 type sequence S description BINDING SITE FOR RESIDUE HEM A 750 source : AC4 13) chain A residue 584 type sequence F description BINDING SITE FOR RESIDUE HEM A 750 source : AC4 14) chain A residue 585 type sequence S description BINDING SITE FOR RESIDUE HEM A 750 source : AC4 15) chain A residue 587 type sequence W description BINDING SITE FOR RESIDUE HEM A 750 source : AC4 16) chain A residue 589 type sequence M description BINDING SITE FOR RESIDUE HEM A 750 source : AC4 17) chain A residue 592 type sequence E description BINDING SITE FOR RESIDUE HEM A 750 source : AC4 18) chain A residue 678 type sequence W description BINDING SITE FOR RESIDUE HEM A 750 source : AC4 19) chain A residue 704 type sequence F description BINDING SITE FOR RESIDUE HEM A 750 source : AC4 20) chain A residue 706 type sequence Y description BINDING SITE FOR RESIDUE HEM A 750 source : AC4 21) chain A residue 334 type sequence S description BINDING SITE FOR RESIDUE H4B A 760 source : AC5 22) chain A residue 336 type sequence M description BINDING SITE FOR RESIDUE H4B A 760 source : AC5 23) chain A residue 596 type sequence R description BINDING SITE FOR RESIDUE H4B A 760 source : AC5 24) chain A residue 678 type sequence W description BINDING SITE FOR RESIDUE H4B A 760 source : AC5 25) chain B residue 676 type sequence W description BINDING SITE FOR RESIDUE H4B A 760 source : AC5 26) chain B residue 691 type sequence F description BINDING SITE FOR RESIDUE H4B A 760 source : AC5 27) chain B residue 692 type sequence H description BINDING SITE FOR RESIDUE H4B A 760 source : AC5 28) chain B residue 693 type sequence Q description BINDING SITE FOR RESIDUE H4B A 760 source : AC5 29) chain B residue 694 type sequence E description BINDING SITE FOR RESIDUE H4B A 760 source : AC5 30) chain A residue 478 type sequence Q description BINDING SITE FOR RESIDUE JI1 A 800 source : AC6 31) chain A residue 587 type sequence W description BINDING SITE FOR RESIDUE JI1 A 800 source : AC6 32) chain A residue 592 type sequence E description BINDING SITE FOR RESIDUE JI1 A 800 source : AC6 33) chain A residue 678 type sequence W description BINDING SITE FOR RESIDUE JI1 A 800 source : AC6 34) chain B residue 409 type sequence W description BINDING SITE FOR RESIDUE HEM B 750 source : AC7 35) chain B residue 414 type sequence R description BINDING SITE FOR RESIDUE HEM B 750 source : AC7 36) chain B residue 415 type sequence C description BINDING SITE FOR RESIDUE HEM B 750 source : AC7 37) chain B residue 457 type sequence S description BINDING SITE FOR RESIDUE HEM B 750 source : AC7 38) chain B residue 584 type sequence F description BINDING SITE FOR RESIDUE HEM B 750 source : AC7 39) chain B residue 585 type sequence S description BINDING SITE FOR RESIDUE HEM B 750 source : AC7 40) chain B residue 587 type sequence W description BINDING SITE FOR RESIDUE HEM B 750 source : AC7 41) chain B residue 592 type sequence E description BINDING SITE FOR RESIDUE HEM B 750 source : AC7 42) chain B residue 678 type sequence W description BINDING SITE FOR RESIDUE HEM B 750 source : AC7 43) chain B residue 704 type sequence F description BINDING SITE FOR RESIDUE HEM B 750 source : AC7 44) chain B residue 706 type sequence Y description BINDING SITE FOR RESIDUE HEM B 750 source : AC7 45) chain A residue 676 type sequence W description BINDING SITE FOR RESIDUE H4B B 760 source : AC8 46) chain A residue 691 type sequence F description BINDING SITE FOR RESIDUE H4B B 760 source : AC8 47) chain A residue 692 type sequence H description BINDING SITE FOR RESIDUE H4B B 760 source : AC8 48) chain A residue 694 type sequence E description BINDING SITE FOR RESIDUE H4B B 760 source : AC8 49) chain B residue 334 type sequence S description BINDING SITE FOR RESIDUE H4B B 760 source : AC8 50) chain B residue 596 type sequence R description BINDING SITE FOR RESIDUE H4B B 760 source : AC8 51) chain B residue 678 type sequence W description BINDING SITE FOR RESIDUE H4B B 760 source : AC8 52) chain B residue 478 type sequence Q description BINDING SITE FOR RESIDUE JI1 B 800 source : AC9 53) chain B residue 587 type sequence W description BINDING SITE FOR RESIDUE JI1 B 800 source : AC9 54) chain B residue 592 type sequence E description BINDING SITE FOR RESIDUE JI1 B 800 source : AC9 55) chain A residue 478 type BINDING sequence Q description BINDING => ECO:0000250|UniProtKB:P29475 source Swiss-Prot : SWS_FT_FI1 56) chain B residue 334 type BINDING sequence S description BINDING => ECO:0000250|UniProtKB:P29475 source Swiss-Prot : SWS_FT_FI1 57) chain B residue 478 type BINDING sequence Q description BINDING => ECO:0000250|UniProtKB:P29475 source Swiss-Prot : SWS_FT_FI1 58) chain B residue 587 type BINDING sequence W description BINDING => ECO:0000250|UniProtKB:P29475 source Swiss-Prot : SWS_FT_FI1 59) chain B residue 588 type BINDING sequence Y description BINDING => ECO:0000250|UniProtKB:P29475 source Swiss-Prot : SWS_FT_FI1 60) chain B residue 592 type BINDING sequence E description BINDING => ECO:0000250|UniProtKB:P29475 source Swiss-Prot : SWS_FT_FI1 61) chain B residue 677 type BINDING sequence V description BINDING => ECO:0000250|UniProtKB:P29475 source Swiss-Prot : SWS_FT_FI1 62) chain B residue 678 type BINDING sequence W description BINDING => ECO:0000250|UniProtKB:P29475 source Swiss-Prot : SWS_FT_FI1 63) chain B residue 691 type BINDING sequence F description BINDING => ECO:0000250|UniProtKB:P29475 source Swiss-Prot : SWS_FT_FI1 64) chain B residue 706 type BINDING sequence Y description BINDING => ECO:0000250|UniProtKB:P29475 source Swiss-Prot : SWS_FT_FI1 65) chain A residue 587 type BINDING sequence W description BINDING => ECO:0000250|UniProtKB:P29475 source Swiss-Prot : SWS_FT_FI1 66) chain A residue 588 type BINDING sequence Y description BINDING => ECO:0000250|UniProtKB:P29475 source Swiss-Prot : SWS_FT_FI1 67) chain A residue 592 type BINDING sequence E description BINDING => ECO:0000250|UniProtKB:P29475 source Swiss-Prot : SWS_FT_FI1 68) chain A residue 677 type BINDING sequence V description BINDING => ECO:0000250|UniProtKB:P29475 source Swiss-Prot : SWS_FT_FI1 69) chain A residue 678 type BINDING sequence W description BINDING => ECO:0000250|UniProtKB:P29475 source Swiss-Prot : SWS_FT_FI1 70) chain A residue 691 type BINDING sequence F description BINDING => ECO:0000250|UniProtKB:P29475 source Swiss-Prot : SWS_FT_FI1 71) chain A residue 706 type BINDING sequence Y description BINDING => ECO:0000250|UniProtKB:P29475 source Swiss-Prot : SWS_FT_FI1 72) chain A residue 334 type BINDING sequence S description BINDING => ECO:0000250|UniProtKB:P29475 source Swiss-Prot : SWS_FT_FI1 73) chain A residue 414-421 type prosite sequence RCVGRIQW description NOS Nitric oxide synthase (NOS) signature. RCVGRIqW source prosite : PS60001 74) chain B residue 415 type BINDING sequence C description axial binding residue => ECO:0000250|UniProtKB:P29475 source Swiss-Prot : SWS_FT_FI2 75) 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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