eF-site ID 6ngw-AB PDB Code 6ngw Chain A, B click to enlarge Title Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(5-(3-(dimethylamino)propyl)-2,3,4-trifluorophenethyl)-4-methylpyridin-2-amine Classification oxidoreductase/oxidoreductase inhibitor Compound Nitric oxide synthase, brain Source (NOS1_RAT) Sequence A:  RFLKVKNWETDVVLTDTLHLKSTLETGCTEHICMGSIMLP SVRTKDQLFPLAKEFLDQYYSSIKRFGSKAHMDRLEEVNK EIESTSTYQLKDTELIYGAKHAWRNASRCVGRIQWSKLQV FDARDCTTAHGMFNYICNHVKYATNKGNLRSAITIFPQRT DGKHDFRVWNSQLIRYAGYKQPDGSTLGDPANVQFTEICI QQGWKAPRGRFDVLPLLLQANGNDPELFQIPPELVLEVPI RHPKFDWFKDLGLKWYGLPAVSNMLLEIGGLEFSACPFSG WYMGTEIGVRDYCDNSRYNILEEVAKKMDLDMRKTSSLWK DQALVEINIAVLYSFQSDKVTIVDHHSATESFIKHMENEY RCRGGCPADWVWIVPPMSGSITPVFHQEMLNYRLTPSFEY QPDPWNTHVW 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 414 type sequence R description binding site for residue HEM A 801 source : AC1 3) chain A residue 415 type sequence C description binding site for residue HEM A 801 source : AC1 4) chain A residue 457 type sequence S description binding site for residue HEM A 801 source : AC1 5) chain A residue 584 type sequence F description binding site for residue HEM A 801 source : AC1 6) chain A residue 585 type sequence S description binding site for residue HEM A 801 source : AC1 7) chain A residue 586 type sequence G description binding site for residue HEM A 801 source : AC1 8) chain A residue 587 type sequence W description binding site for residue HEM A 801 source : AC1 9) chain A residue 589 type sequence M description binding site for residue HEM A 801 source : AC1 10) chain A residue 592 type sequence E description binding site for residue HEM A 801 source : AC1 11) chain A residue 678 type sequence W description binding site for residue HEM A 801 source : AC1 12) chain A residue 706 type sequence Y description binding site for residue HEM A 801 source : AC1 13) chain A residue 334 type sequence S description binding site for residue H4B A 802 source : AC2 14) chain A residue 596 type sequence R description binding site for residue H4B A 802 source : AC2 15) chain A residue 677 type sequence V description binding site for residue H4B A 802 source : AC2 16) chain A residue 678 type sequence W description binding site for residue H4B A 802 source : AC2 17) chain B residue 676 type sequence W description binding site for residue H4B A 802 source : AC2 18) chain B residue 691 type sequence F description binding site for residue H4B A 802 source : AC2 19) chain B residue 692 type sequence H description binding site for residue H4B A 802 source : AC2 20) chain B residue 693 type sequence Q description binding site for residue H4B A 802 source : AC2 21) chain B residue 694 type sequence E description binding site for residue H4B A 802 source : AC2 22) chain A residue 567 type sequence V description binding site for residue KMS A 803 source : AC3 23) chain A residue 569 type sequence N description binding site for residue KMS A 803 source : AC3 24) chain A residue 584 type sequence F description binding site for residue KMS A 803 source : AC3 25) chain A residue 586 type sequence G description binding site for residue KMS A 803 source : AC3 26) chain A residue 587 type sequence W description binding site for residue KMS A 803 source : AC3 27) chain A residue 592 type sequence E description binding site for residue KMS A 803 source : AC3 28) chain A residue 706 type sequence Y description binding site for residue KMS A 803 source : AC3 29) chain A residue 417 type sequence G description binding site for residue ACT A 804 source : AC4 30) chain A residue 587 type sequence W description binding site for residue ACT A 804 source : AC4 31) chain A residue 649 type sequence V description binding site for residue ACT A 804 source : AC4 32) chain A residue 657 type sequence S description binding site for residue ACT A 804 source : AC4 33) chain A residue 326 type sequence C description binding site for residue ZN A 805 source : AC5 34) chain A residue 331 type sequence C description binding site for residue ZN A 805 source : AC5 35) chain B residue 326 type sequence C description binding site for residue ZN A 805 source : AC5 36) chain B residue 331 type sequence C description binding site for residue ZN A 805 source : AC5 37) chain B residue 409 type sequence W description binding site for residue HEM B 801 source : AC6 38) chain B residue 414 type sequence R description binding site for residue HEM B 801 source : AC6 39) chain B residue 415 type sequence C description binding site for residue HEM B 801 source : AC6 40) chain B residue 457 type sequence S description binding site for residue HEM B 801 source : AC6 41) chain B residue 584 type sequence F description binding site for residue HEM B 801 source : AC6 42) chain B residue 585 type sequence S description binding site for residue HEM B 801 source : AC6 43) chain B residue 587 type sequence W description binding site for residue HEM B 801 source : AC6 44) chain B residue 592 type sequence E description binding site for residue HEM B 801 source : AC6 45) chain B residue 678 type sequence W description binding site for residue HEM B 801 source : AC6 46) chain B residue 704 type sequence F description binding site for residue HEM B 801 source : AC6 47) chain B residue 706 type sequence Y description binding site for residue HEM B 801 source : AC6 48) chain A residue 676 type sequence W description binding site for residue H4B B 802 source : AC7 49) chain A residue 691 type sequence F description binding site for residue H4B B 802 source : AC7 50) chain A residue 692 type sequence H description binding site for residue H4B B 802 source : AC7 51) chain A residue 693 type sequence Q description binding site for residue H4B B 802 source : AC7 52) chain A residue 694 type sequence E description binding site for residue H4B B 802 source : AC7 53) chain B residue 334 type sequence S description binding site for residue H4B B 802 source : AC7 54) chain B residue 596 type sequence R description binding site for residue H4B B 802 source : AC7 55) chain B residue 677 type sequence V description binding site for residue H4B B 802 source : AC7 56) chain B residue 678 type sequence W description binding site for residue H4B B 802 source : AC7 57) chain B residue 478 type sequence Q description binding site for residue KMS B 803 source : AC8 58) chain B residue 567 type sequence V description binding site for residue KMS B 803 source : AC8 59) chain B residue 569 type sequence N description binding site for residue KMS B 803 source : AC8 60) chain B residue 586 type sequence G description binding site for residue KMS B 803 source : AC8 61) chain B residue 587 type sequence W description binding site for residue KMS B 803 source : AC8 62) chain B residue 592 type sequence E description binding site for residue KMS B 803 source : AC8 63) chain B residue 706 type sequence Y description binding site for residue KMS B 803 source : AC8 64) chain B residue 417 type sequence G description binding site for residue ACT B 804 source : AC9 65) chain B residue 420 type sequence Q description binding site for residue ACT B 804 source : AC9 66) chain B residue 587 type sequence W description binding site for residue ACT B 804 source : AC9 67) chain B residue 649 type sequence V description binding site for residue ACT B 804 source : AC9 68) chain B residue 492 type sequence T description binding site for residue GOL B 805 source : AD1 69) chain B residue 493 type sequence L description binding site for residue GOL B 805 source : AD1 70) chain B residue 494 type sequence G description binding site for residue GOL B 805 source : AD1 71) chain B residue 516 type sequence R description binding site for residue GOL B 805 source : AD1 72) chain B residue 604 type sequence Y description binding site for residue GOL B 805 source : AD1 73) chain B residue 669 type sequence R description binding site for residue GOL B 806 source : AD2 74) chain A residue 414-421 type prosite sequence RCVGRIQW description NOS Nitric oxide synthase (NOS) signature. RCVGRIqW source prosite : PS60001 75) chain A residue 415 type BINDING sequence C description axial binding residue => ECO:0000250|UniProtKB:P29475 source Swiss-Prot : SWS_FT_FI2 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 B residue 334 type BINDING sequence S description BINDING => ECO:0000250|UniProtKB:P29475 source Swiss-Prot : SWS_FT_FI1 78) chain B residue 478 type BINDING sequence Q description BINDING => ECO:0000250|UniProtKB:P29475 source Swiss-Prot : SWS_FT_FI1 79) chain B residue 587 type BINDING sequence W description BINDING => ECO:0000250|UniProtKB:P29475 source Swiss-Prot : SWS_FT_FI1 80) chain B residue 588 type BINDING sequence Y description BINDING => ECO:0000250|UniProtKB:P29475 source Swiss-Prot : SWS_FT_FI1 81) chain B residue 592 type BINDING sequence E description BINDING => ECO:0000250|UniProtKB:P29475 source Swiss-Prot : SWS_FT_FI1 82) chain B residue 677 type BINDING sequence V description BINDING => ECO:0000250|UniProtKB:P29475 source Swiss-Prot : SWS_FT_FI1 83) chain B residue 678 type BINDING sequence W description BINDING => ECO:0000250|UniProtKB:P29475 source Swiss-Prot : SWS_FT_FI1 84) chain B residue 691 type BINDING sequence F description BINDING => ECO:0000250|UniProtKB:P29475 source Swiss-Prot : SWS_FT_FI1 85) chain B residue 706 type BINDING sequence Y description BINDING => ECO:0000250|UniProtKB:P29475 source Swiss-Prot : SWS_FT_FI1 86) chain A residue 587 type BINDING sequence W description BINDING => ECO:0000250|UniProtKB:P29475 source Swiss-Prot : SWS_FT_FI1 87) chain A residue 588 type BINDING sequence Y description BINDING => ECO:0000250|UniProtKB:P29475 source Swiss-Prot : SWS_FT_FI1 88) chain A residue 592 type BINDING sequence E description BINDING => ECO:0000250|UniProtKB:P29475 source Swiss-Prot : SWS_FT_FI1 89) chain A residue 677 type BINDING sequence V description BINDING => ECO:0000250|UniProtKB:P29475 source Swiss-Prot : SWS_FT_FI1 90) chain A residue 678 type BINDING sequence W description BINDING => ECO:0000250|UniProtKB:P29475 source Swiss-Prot : SWS_FT_FI1 91) chain A residue 691 type BINDING sequence F description BINDING => ECO:0000250|UniProtKB:P29475 source Swiss-Prot : SWS_FT_FI1 92) chain A residue 706 type BINDING sequence Y description BINDING => ECO:0000250|UniProtKB:P29475 source Swiss-Prot : SWS_FT_FI1 93) chain A residue 334 type BINDING sequence S description BINDING => ECO:0000250|UniProtKB:P29475 source Swiss-Prot : SWS_FT_FI1 94) chain A residue 478 type BINDING sequence Q description BINDING => ECO:0000250|UniProtKB:P29475 source Swiss-Prot : SWS_FT_FI1

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