eF-site ID 6ng2-A PDB Code 6ng2 Chain A click to enlarge Title Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 6-(3-(3-(dimethylamino)prop-1-yn-1-yl)-5-fluorophenethyl)-4-methylpyridin-2-amine Classification OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR Compound Nitric oxide synthase, brain Source (NOS1_HUMAN) Sequence A:  CPRFLKVKNWETEVVLTDTLHLKSTLETGCTEYICMGSIM HPPEDVATKDQLFPLAKEFIDQYYSSIKRFGSKAHMERLE EVNKEIDTTSTYQLKDTELIYGAKHAWRNASRCVGRIQWS KLQVFDARDCTTAHGMFNYICNHVKYATNKGNLRSAITIF PQRTDGKHDFRVWNSQLIRYAGYKQPDGSTLGDPANVQFT EICIQQGWKPPRGRFDVLPLLLQANGNDPELFQIPPELVL EVPIRHPKFEWFKDLGLKWYGLPAVSNMLLEIGGLEFSAC PFSGWYMGTEIGVRDYCDNSRYNILEEVAKKMNLDMRKTS SLWKDQALVEINIAVLYSFQSDKVTIVDHHSATESFIKHM ENEYRCRGGCPADWVWIVPPMSGSITPVFHQEMLNYRLTP SFEYQPDPWNTHVWK Description Functional site 1) chain A residue 414 type sequence W description binding site for residue HEM A 801 source : AC1 2) chain A residue 420 type sequence C description binding site for residue HEM A 801 source : AC1 3) chain A residue 589 type sequence F description binding site for residue HEM A 801 source : AC1 4) chain A residue 590 type sequence S description binding site for residue HEM A 801 source : AC1 5) chain A residue 592 type sequence W description binding site for residue HEM A 801 source : AC1 6) chain A residue 597 type sequence E description binding site for residue HEM A 801 source : AC1 7) chain A residue 683 type sequence W description binding site for residue HEM A 801 source : AC1 8) chain A residue 709 type sequence F description binding site for residue HEM A 801 source : AC1 9) chain A residue 711 type sequence Y description binding site for residue HEM A 801 source : AC1 10) chain A residue 339 type sequence S description binding site for residue H4B A 802 source : AC2 11) chain A residue 601 type sequence R description binding site for residue H4B A 802 source : AC2 12) chain A residue 682 type sequence V description binding site for residue H4B A 802 source : AC2 13) chain A residue 683 type sequence W description binding site for residue H4B A 802 source : AC2 14) chain A residue 341 type sequence M description binding site for residue KM7 A 803 source : AC3 15) chain A residue 483 type sequence Q description binding site for residue KM7 A 803 source : AC3 16) chain A residue 486 type sequence R description binding site for residue KM7 A 803 source : AC3 17) chain A residue 567 type sequence Y description binding site for residue KM7 A 803 source : AC3 18) chain A residue 591 type sequence G description binding site for residue KM7 A 803 source : AC3 19) chain A residue 592 type sequence W description binding site for residue KM7 A 803 source : AC3 20) chain A residue 597 type sequence E description binding site for residue KM7 A 803 source : AC3 21) chain A residue 331 type sequence C description binding site for residue ZN B 801 source : AC4 22) chain A residue 336 type sequence C description binding site for residue ZN B 801 source : AC4 23) chain A residue 681 type sequence W description binding site for residue H4B B 803 source : AC6 24) chain A residue 696 type sequence F description binding site for residue H4B B 803 source : AC6 25) chain A residue 697 type sequence H description binding site for residue H4B B 803 source : AC6 26) chain A residue 698 type sequence Q description binding site for residue H4B B 803 source : AC6 27) chain A residue 699 type sequence E description binding site for residue H4B B 803 source : AC6 28) chain A residue 339 type BINDING sequence S description BINDING => ECO:0000269|PubMed:25286850, ECO:0007744|PDB:4D1N source Swiss-Prot : SWS_FT_FI1 29) chain A residue 483 type BINDING sequence Q description BINDING => ECO:0000269|PubMed:25286850, ECO:0007744|PDB:4D1N source Swiss-Prot : SWS_FT_FI1 30) chain A residue 592 type BINDING sequence W description BINDING => ECO:0000269|PubMed:25286850, ECO:0007744|PDB:4D1N source Swiss-Prot : SWS_FT_FI1 31) chain A residue 593 type BINDING sequence Y description BINDING => ECO:0000269|PubMed:25286850, ECO:0007744|PDB:4D1N source Swiss-Prot : SWS_FT_FI1 32) chain A residue 597 type BINDING sequence E description BINDING => ECO:0000269|PubMed:25286850, ECO:0007744|PDB:4D1N source Swiss-Prot : SWS_FT_FI1 33) chain A residue 682 type BINDING sequence V description BINDING => ECO:0000269|PubMed:25286850, ECO:0007744|PDB:4D1N source Swiss-Prot : SWS_FT_FI1 34) chain A residue 683 type BINDING sequence W description BINDING => ECO:0000269|PubMed:25286850, ECO:0007744|PDB:4D1N source Swiss-Prot : SWS_FT_FI1 35) chain A residue 696 type BINDING sequence F description BINDING => ECO:0000269|PubMed:25286850, ECO:0007744|PDB:4D1N source Swiss-Prot : SWS_FT_FI1 36) chain A residue 711 type BINDING sequence Y description BINDING => ECO:0000269|PubMed:25286850, ECO:0007744|PDB:4D1N source Swiss-Prot : SWS_FT_FI1 37) chain A residue 419-426 type prosite sequence RCVGRIQW description NOS Nitric oxide synthase (NOS) signature. RCVGRIqW source prosite : PS60001 38) chain A residue 420 type BINDING sequence C description axial binding residue => ECO:0000269|PubMed:25286850, ECO:0007744|PDB:4D1N source Swiss-Prot : SWS_FT_FI2

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