REMARK SOURCE hebe.pdb HEADER UNKNOWN FUNCTION 22-FEB-07 2EFF COMPND PROTEIN CYAY; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 3 ORGANISM_TAXID: 562; SOURCE 4 GENE: CYAY, B3807; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 6 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET22B-CYAY AUTHOR F.SICA,M.FRANZESE HET CO A 501 1 HET CO A 502 1 >MET~A 1 2.68 23.76 46.93 4.26 20.97 49.47 3.47 22.36 48.20 2 0 7.60 -999 ? CO CO A 502 >ASN~A 2 6.06 20.61 45.52 7.23 20.96 47.28 6.65 20.79 46.40 2 0 6.69 -999 ? CO CO A 502 >ASP~A 3 1.99 19.99 42.01 2.24 17.96 42.60 2.11 18.98 42.30 2 0 2.67 -999 ? CO CO A 502 >SER~A 4 2.18 24.15 40.73 1.53 25.44 42.68 1.86 24.80 41.71 2 0 9.47 -999 ? CO CO A 502 >GLU~A 5 5.59 26.72 43.62 5.77 28.78 43.21 5.68 27.75 43.41 2 0 12.48 -999 ? CO CO A 502 >PHE~A 6 7.68 20.52 38.63 9.01 19.02 36.81 8.34 19.77 37.72 3 0 7.78 -999 ? CO CO A 502 >HIS~A 7 2.78 21.94 36.79 1.95 20.07 37.29 2.36 21.00 37.04 3 0 8.08 -999 ? CO CO A 502 >ARG~A 8 6.10 30.17 38.80 6.82 32.82 40.16 6.46 31.50 39.48 2 0 16.94 -999 ? CO CO A 502 >LEU~A 9 10.25 26.61 37.75 10.37 28.13 39.31 10.31 27.37 38.53 3 0 13.46 -999 ? CO CO A 502 >ALA~A 10 9.56 23.97 34.14 8.99 22.58 34.37 9.28 23.28 34.26 2 0 11.93 -999 ? CO CO A 502 >ASP~A 11 5.80 26.22 31.86 4.30 24.75 31.57 5.05 25.48 31.71 2 0 14.48 -999 ? CO CO A 502 >GLN~A 12 10.54 30.94 32.78 9.40 32.24 31.56 9.97 31.59 32.17 2 0 20.45 -999 ? CO CO A 502 >LEU~A 13 13.11 25.49 32.26 14.52 23.75 32.13 13.82 24.62 32.19 3 0 16.88 -999 ? CO CO A 502 >TRP~A 14 9.27 21.95 27.32 11.42 20.31 30.17 10.35 21.13 28.75 3 0 15.46 -999 ? CO CO A 501 >LEU~A 15 9.40 29.41 27.39 8.58 31.12 26.42 8.99 30.27 26.90 3 0 16.63 -999 ? CO CO A 501 >THR~A 16 13.77 29.68 27.44 14.75 30.69 29.08 14.26 30.19 28.26 2 0 18.69 -999 ? CO CO A 501 >ILE~A 17 15.34 25.25 26.18 15.85 24.03 26.65 15.60 24.64 26.41 3 0 14.07 -999 ? CO CO A 501 >GLU~A 18 10.97 25.14 23.00 9.08 24.99 23.98 10.03 25.06 23.49 2 0 11.66 -999 ? CO CO A 501 >GLU~A 19 11.57 31.84 23.33 11.09 33.41 24.67 11.33 32.62 24.00 2 0 16.78 -999 ? CO CO A 501 >ARG~A 20 18.66 30.73 26.16 19.38 31.88 29.00 19.02 31.30 27.58 2 0 20.49 -999 ? CO CO A 501 >LEU~A 21 17.19 26.06 20.30 18.78 24.80 21.08 17.99 25.43 20.69 3 0 10.56 -999 ? CO CO A 501 >ASP~A 22 13.63 29.38 17.71 13.21 31.44 17.52 13.42 30.41 17.62 2 0 11.29 -999 ? CO CO A 501 >ASP~A 23 17.05 33.13 18.90 15.44 34.44 18.50 16.24 33.79 18.70 2 0 14.82 -999 ? CO CO A 501 >TRP.A 24 22.14 27.42 15.61 25.10 28.19 18.06 23.62 27.80 16.83 3 0 14.07 -999 ? CO CO A 501 >ASP.A 25 22.57 33.43 14.65 23.91 33.69 16.27 23.24 33.56 15.46 2 0 17.75 -999 ? CO CO A 501 >GLY.A 26 25.72 30.13 14.64 25.10 29.89 14.15 25.41 30.01 14.40 1 0 16.68 -999 ? CO CO A 501 >ASP.A 27 28.94 27.88 11.88 29.89 29.74 11.74 29.42 28.81 11.81 2 0 20.15 -999 ? CO CO A 501 >SER.A 28 26.26 24.69 13.28 28.09 24.17 14.83 27.17 24.43 14.05 2 0 16.66 -999 ? CO CO A 501 >ASP.A 29 22.50 22.31 11.23 23.21 22.94 9.36 22.85 22.63 10.30 2 0 12.25 -999 ? CO CO A 501 >ILE.A 30 21.51 23.46 16.97 22.19 23.59 18.24 21.85 23.53 17.61 3 0 11.20 -999 ? CO CO A 501 >CYH^A 32 15.05 21.37 18.70 14.27 22.46 21.15 14.66 21.92 19.92 2 0 8.30 -999 ? CO CO A 501 >GLU^A 33 12.56 18.15 16.53 11.59 19.51 15.19 12.08 18.83 15.86 2 0 2.40 -999 ? CO CO A 501 >ILE^A 34 8.40 19.91 21.97 7.77 20.36 22.71 8.08 20.14 22.34 3 0 9.76 -999 ? CO CO A 501 >ASN^A 35 8.37 14.17 20.81 9.34 14.99 19.09 8.86 14.58 19.95 2 0 8.69 -999 ? CO CO A 501 >GLY.A 36 5.18 14.20 24.27 5.77 14.85 24.23 5.48 14.52 24.25 1 0 14.48 -999 ? CO CO A 501 >GLY.A 37 6.46 17.24 26.21 6.98 16.73 25.80 6.72 16.99 26.00 1 0 14.42 -999 ? CO CO A 501 >VAL^A 38 10.06 16.02 25.93 10.83 14.01 26.27 10.45 15.01 26.10 3 0 14.16 -999 ? CO CO A 501 >LEU^A 39 13.17 19.66 24.91 12.21 21.62 24.91 12.69 20.64 24.91 3 0 11.60 -999 ? CO CO A 501 >THR^A 40 15.18 16.76 21.98 15.11 14.75 21.24 15.14 15.75 21.61 2 0 10.62 -999 ? CO CO A 501 >ILE^A 41 18.95 19.75 21.60 19.41 20.95 22.16 19.18 20.35 21.88 3 0 11.30 -999 ? CO CO A 501 >THR^A 42 19.85 17.19 17.67 18.88 15.61 16.51 19.36 16.40 17.09 2 0 9.47 -999 ? CO CO A 501 >PHE.A 43 24.10 18.72 18.78 23.42 20.09 21.09 23.76 19.40 19.94 3 0 13.75 -999 ? CO CO A 501 >GLU.A 44 25.13 19.67 11.57 26.34 21.07 10.61 25.73 20.37 11.09 2 0 14.81 -999 ? CO CO A 501 >ASN.A 45 28.30 14.82 15.18 27.82 15.30 17.17 28.06 15.06 16.17 2 0 17.45 -999 ? CO CO A 501 >GLY.A 46 23.87 12.86 15.02 24.24 13.30 15.63 24.05 13.08 15.33 1 0 14.68 -999 ? CO CO A 501 >SER.A 47 24.25 13.27 18.80 25.72 15.11 19.43 24.99 14.19 19.11 2 0 16.31 -999 ? CO CO A 501 >LYS^A 48 21.36 14.51 20.90 18.68 10.33 18.02 20.02 12.42 19.46 2 0 13.57 -999 ? CO CO A 501 >ILE^A 49 21.07 17.54 24.48 21.91 18.50 25.20 21.49 18.02 24.84 3 0 15.34 -999 ? CO CO A 501 >ILE^A 50 16.71 13.73 25.75 16.24 12.60 25.23 16.48 13.17 25.49 3 0 15.20 -999 ? CO CO A 501 >ILE^A 51 15.51 18.76 28.39 16.04 19.85 28.23 15.77 19.31 28.31 3 0 15.57 -999 ? CO CO A 501 >ASN^A 52 11.98 14.51 29.98 13.29 12.97 30.72 12.63 13.74 30.35 2 0 15.95 -999 ? CO CO A 502 >ARG^A 53 7.60 19.20 32.44 6.42 21.61 31.17 7.01 20.40 31.80 2 0 13.47 -999 ? CO CO A 502 >GLN^A 54 11.38 12.09 37.40 10.92 10.74 35.82 11.15 11.41 36.61 2 0 11.58 -999 ? CO CO A 502 >GLU~A 55 5.26 15.47 35.72 4.58 17.41 35.93 4.92 16.44 35.83 2 0 7.55 -999 ? CO CO A 502 >PRO~A 56 7.15 11.02 39.33 6.73 13.10 40.18 6.94 12.06 39.76 3 0 6.28 -999 ? CO CO A 502 >LEU~A 57 11.40 13.67 41.48 11.82 11.57 41.75 11.61 12.62 41.61 3 0 8.47 -999 ? CO CO A 502 >HIS.A 58 8.05 18.26 42.60 6.33 17.51 43.54 7.19 17.88 43.07 3 0 3.32 -999 ? CO CO A 502 >GLN^A 59 14.18 16.28 40.56 15.68 14.88 41.04 14.93 15.58 40.80 2 0 11.77 -999 ? CO CO A 502 >VAL^A 60 14.02 18.23 35.30 13.87 19.97 34.04 13.94 19.10 34.67 3 0 13.33 -999 ? CO CO A 502 >TRP^A 61 15.55 14.30 36.39 15.02 10.39 36.48 15.29 12.35 36.44 3 0 13.67 -999 ? CO CO A 502 >LEU^A 62 20.05 17.15 31.56 21.08 18.54 30.25 20.57 17.84 30.91 3 0 19.88 -999 ? CO CO A 501 >ALA^A 63 20.46 13.27 29.07 19.58 12.15 28.61 20.02 12.71 28.84 2 0 19.30 -999 ? CO CO A 501 >THR.A 64 23.55 14.07 27.01 24.67 15.23 28.46 24.11 14.65 27.73 2 0 20.68 -999 ? CO CO A 501 >LYS.A 65 25.94 11.98 24.99 28.78 9.72 21.13 27.36 10.85 23.06 2 0 21.85 -999 ? CO CO A 501 >GLN.A 66 29.93 13.38 29.48 30.31 15.40 30.11 30.12 14.39 29.80 2 0 25.60 -999 ? CO CO A 501 >GLY.A 67 25.82 11.37 30.99 25.34 11.78 30.47 25.58 11.57 30.73 1 0 24.52 -999 ? CO CO A 501 >GLY^A 68 22.46 11.86 32.80 23.18 12.15 33.25 22.82 12.00 33.03 1 0 21.56 -999 ? CO CO A 502 >TYR^A 69 23.90 15.80 34.07 26.26 15.11 32.82 25.08 15.45 33.45 3 0 23.11 -999 ? CO CO A 502 >HIS^A 70 18.56 12.82 37.63 18.64 10.87 36.84 18.60 11.85 37.24 3 0 16.27 -999 ? CO CO A 502 >PHE^A 71 19.17 19.80 36.75 21.53 19.61 35.28 20.35 19.71 36.02 3 0 18.03 -999 ? CO CO A 502 >ASP^A 72 16.68 20.00 43.14 16.60 17.98 43.63 16.64 18.99 43.38 2 0 12.45 -999 ? CO CO A 502 >LEU^A 73 12.74 23.81 41.67 10.89 22.57 41.59 11.82 23.19 41.63 3 0 10.33 -999 ? CO CO A 502 >LYS^A 74 16.20 25.74 44.01 18.21 21.12 46.58 17.21 23.43 45.29 2 0 15.08 -999 ? CO CO A 502 >GLY.A 75 15.24 29.43 43.99 15.18 28.89 43.37 15.21 29.16 43.68 1 0 17.07 -999 ? CO CO A 502 >ASP.A 76 16.09 32.42 40.26 17.89 33.28 40.90 16.99 32.85 40.58 2 0 21.86 -999 ? CO CO A 502 >GLU^A 77 19.60 28.72 41.23 21.46 29.67 41.14 20.53 29.19 41.18 2 0 21.85 -999 ? CO CO A 502 >TRP^A 78 15.67 25.36 36.34 12.88 22.85 37.44 14.27 24.10 36.89 3 0 14.23 -999 ? CO CO A 502 >ILE^A 79 20.58 22.86 42.10 21.60 23.81 42.24 21.09 23.33 42.17 3 0 18.26 -999 ? CO CO A 502 >CYH^A 80 22.15 19.13 39.69 23.78 17.17 38.69 22.97 18.15 39.19 2 0 20.11 -999 ? CO CO A 502 >ASP.A 81 20.05 16.08 42.77 19.98 14.23 41.85 20.02 15.16 42.31 2 0 15.96 -999 ? CO CO A 502 >ARG.A 82 24.12 11.66 41.64 23.60 10.13 38.97 23.86 10.89 40.30 2 0 20.82 -999 ? CO CO A 502 >SER.A 83 27.17 17.90 41.78 26.77 18.51 39.48 26.97 18.21 40.63 2 0 22.96 -999 ? CO CO A 502 >GLY.A 84 25.37 21.15 42.70 25.56 20.93 41.94 25.46 21.04 42.32 1 0 21.67 -999 ? CO CO A 502 >GLU.A 85 28.29 21.31 38.69 29.57 20.47 37.21 28.93 20.89 37.95 2 0 26.39 -999 ? CO CO A 502 >THR~A 86 23.41 24.62 37.42 24.06 26.65 37.27 23.73 25.63 37.34 2 0 23.14 -999 ? CO CO A 502 >PHE~A 87 19.07 23.07 33.21 17.99 22.27 30.77 18.53 22.67 31.99 3 0 19.33 -999 ? CO CO A 502 >TRP~A 88 19.77 28.32 33.31 18.00 27.64 29.88 18.89 27.98 31.60 3 0 20.77 -999 ? CO CO A 501 >ASP~A 89 26.74 25.63 34.16 27.01 27.58 34.96 26.87 26.61 34.56 2 0 26.73 -999 ? CO CO A 502 >LEU~A 90 25.08 20.77 33.13 26.24 19.51 34.54 25.66 20.14 33.84 3 0 23.75 -999 ? CO CO A 502 >LEU~A 91 21.98 22.78 29.17 20.61 22.64 27.46 21.29 22.71 28.32 3 0 17.81 -999 ? CO CO A 501 >GLU~A 92 25.00 27.15 28.03 25.32 29.03 28.96 25.16 28.09 28.49 2 0 22.15 -999 ? CO CO A 501 >GLN~A 93 30.67 21.39 29.42 30.91 19.31 29.80 30.79 20.35 29.61 2 0 25.28 -999 ? CO CO A 501 >ALA~A 94 27.19 19.56 26.64 25.99 18.79 27.15 26.59 19.18 26.89 2 0 19.92 -999 ? CO CO A 501 >ALA~A 95 25.67 21.57 23.77 24.63 22.70 23.80 25.15 22.13 23.79 2 0 16.63 -999 ? CO CO A 501 >THR~A 96 29.05 23.18 23.19 30.08 24.92 24.02 29.57 24.05 23.60 2 0 21.53 -999 ? CO CO A 501 >GLN~A 97 31.85 19.21 25.43 32.25 17.43 26.55 32.05 18.32 25.99 2 0 24.61 -999 ? CO CO A 501 >GLN~A 98 27.14 16.58 22.55 25.35 15.72 23.29 26.24 16.15 22.92 2 0 17.63 -999 ? CO CO A 501 >ALA~A 99 27.98 21.02 18.46 27.20 22.30 18.75 27.59 21.66 18.61 2 0 16.37 -999 ? CO CO A 501 >GLY~A 100 31.74 21.63 18.41 31.10 22.18 18.45 31.42 21.90 18.43 1 0 20.59 -999 ? CO CO A 501 >GLU.A 101 29.91 27.11 17.31 28.78 27.73 15.71 29.34 27.42 16.51 2 0 18.41 -999 ? CO CO A 501 >THR.A 102 30.23 27.69 21.58 31.23 29.37 22.52 30.73 28.53 22.05 2 0 23.05 -999 ? CO CO A 501 >VAL.A 103 26.60 27.29 22.61 25.35 25.73 21.76 25.98 26.51 22.18 3 0 17.59 -999 ? CO CO A 501 >SER.A 104 26.45 30.09 25.18 27.74 32.13 25.92 27.10 31.11 25.55 2 0 23.13 -999 ? CO CO A 501 >PHE.A 105 21.67 29.74 25.17 21.06 28.65 22.70 21.36 29.19 23.94 3 0 16.44 -999 ? CO CO A 501 >ARG.A 106 22.92 31.63 30.80 24.55 29.93 32.69 23.73 30.78 31.74 2 0 24.81 -999 ? CO CO A 501