REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 07-JUL-05 2CYJ COMPND HYPOTHETICAL PROTEIN PH1505; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; SOURCE 3 ORGANISM_TAXID: 70601; SOURCE 4 STRAIN: OT3; SOURCE 5 GENE: PH1505; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3) CODONPLUS-RIL; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PET11A AUTHOR K.ITO,R.ARAI,T.KAMO-UCHIKUBO,M.SHIROUZU,S.YOKOYAMA,RIKEN STRUCTURAL AUTHOR 2 GENOMICS/PROTEOMICS INITIATIVE (RSGI) HET OCS A 118 10 HET ACT A1001 4 HET SO4 A2001 5 SITE 1 AC1 6 PHE A 18 HIS A 20 ILE A 30 GLU A 31 SITE 1 AC2 9 ARG A 7 LYS A 35 LYS A 92 GLU A 96 >MET.A 1 9.60 -13.58 -18.38 8.96 -11.83 -15.50 9.28 -12.71 -16.94 2 0 14.38 -999 ? OXT ACT A1001 >LYS.A 2 9.10 -16.17 -15.63 6.74 -21.00 -18.90 7.92 -18.59 -17.26 2 0 17.23 -999 ? OXT ACT A1001 >ILE^A 3 8.67 -14.66 -11.18 8.39 -13.43 -10.80 8.53 -14.05 -10.99 3 0 14.75 -999 ? OXT ACT A1001 >GLU^A 4 11.67 -20.21 -11.93 12.45 -18.83 -13.35 12.06 -19.52 -12.64 2 0 19.93 -999 ? OXT ACT A1001 >GLU^A 5 12.82 -19.92 -5.88 11.21 -20.64 -4.71 12.01 -20.28 -5.29 2 0 18.05 -999 ? N OCS A 118 >VAL^A 6 11.14 -14.56 -4.40 9.80 -13.04 -5.21 10.47 -13.80 -4.80 3 0 12.47 -999 ? N OCS A 118 >ARG^A 7 15.54 -16.61 -0.51 14.02 -19.25 -0.95 14.78 -17.93 -0.73 2 0 -15.30 -999 ? N OCS A 118s >PHE.A 8 15.02 -9.81 2.94 16.24 -7.44 3.82 15.63 -8.62 3.38 3 0 4.54 -999 ? OD2 OCS A 118 >GLY.A 9 17.55 -10.30 -0.93 17.03 -10.76 -1.25 17.29 -10.53 -1.09 1 0 7.30 -999 ? N OCS A 118 >LEU^A 10 17.81 -14.13 -3.14 19.17 -15.53 -4.08 18.49 -14.83 -3.61 3 0 12.55 -999 ? N OCS A 118 >VAL^A 11 14.87 -13.39 -6.68 14.21 -11.35 -7.09 14.54 -12.37 -6.88 3 0 12.03 -999 ? N OCS A 118 >LYS^A 12 15.08 -16.13 -9.33 15.78 -22.34 -10.24 15.43 -19.24 -9.78 2 0 21.87 -999 ? N OCS A 118 >ILE^A 13 13.55 -13.38 -12.68 12.65 -12.23 -12.60 13.10 -12.81 -12.64 3 0 17.03 -999 ? N OCS A 118 >ASP.A 14 14.84 -15.43 -17.00 13.34 -14.28 -17.93 14.09 -14.85 -17.46 2 0 19.49 -999 ? OXT ACT A1001 >GLY.A 15 16.17 -19.18 -14.15 16.35 -18.42 -14.07 16.26 -18.80 -14.11 1 0 22.04 -999 ? N OCS A 118 >LYS^A 16 18.84 -16.76 -12.97 19.25 -13.24 -17.65 19.05 -15.00 -15.31 2 0 22.08 -999 ? N OCS A 118 >GLU^A 17 19.83 -18.00 -8.23 18.12 -18.17 -7.04 18.97 -18.08 -7.64 2 0 16.94 -999 ? N OCS A 118 >PHE^A 18 18.56 -11.35 -10.90 18.47 -11.87 -13.64 18.52 -11.61 -12.27 3 0 -16.49 -999 ? N OCS A 118s >ASP.A 19 22.17 -11.66 -4.61 23.99 -10.74 -5.21 23.08 -11.20 -4.91 2 0 13.42 -999 ? N OCS A 118 >HIS.A 20 21.85 -7.35 -8.00 21.96 -7.93 -10.01 21.90 -7.64 -9.01 3 0 -13.58 -999 ? N OCS A 118s >ASP.A 21 17.71 -3.43 -7.00 17.11 -3.14 -5.00 17.41 -3.29 -6.00 2 0 7.47 -999 ? N OCS A 118 >ILE^A 22 16.62 -6.71 -11.50 16.41 -8.12 -11.27 16.52 -7.41 -11.39 3 0 13.87 -999 ? N OCS A 118 >VAL^A 23 14.89 -3.53 -13.82 15.17 -1.45 -14.39 15.03 -2.49 -14.10 3 0 15.42 -999 ? OXT OCS A 118 >ILE^A 24 11.75 -6.74 -15.52 11.38 -8.01 -15.09 11.57 -7.37 -15.30 3 0 16.91 -999 ? OXT ACT A1001 >TYR.A 25 14.03 -2.72 -19.88 15.81 -0.92 -18.69 14.92 -1.82 -19.29 3 0 20.56 -999 ? OXT OCS A 118 >PRO.A 26 8.45 -2.22 -21.35 9.27 -4.26 -21.04 8.86 -3.24 -21.19 3 0 16.72 -999 ? CH3 ACT A1001 >SER.A 27 10.58 -6.84 -23.76 12.87 -6.04 -23.81 11.73 -6.44 -23.79 2 0 20.79 -999 ? OXT ACT A1001 >GLY.A 28 11.73 -9.04 -20.91 12.23 -8.43 -21.17 11.98 -8.73 -21.04 1 0 18.23 -999 ? OXT ACT A1001 >ARG.A 29 16.35 -5.82 -24.16 16.40 -4.85 -27.06 16.37 -5.34 -25.61 2 0 25.50 -999 ? CH3 ACT A1001 >ILE^A 30 16.70 -8.88 -16.58 16.14 -9.73 -15.56 16.42 -9.31 -16.07 3 0 -18.84 -999 ? N OCS A 118s >GLU^A 31 19.60 -3.81 -18.36 20.31 -1.94 -19.05 19.96 -2.87 -18.71 2 0 -21.50 -999 ? OXT OCS A 118s >ARG^A 32 24.49 -3.19 -12.38 24.48 -0.77 -10.48 24.48 -1.98 -11.43 2 0 -16.22 -999 ? N OCS A 118s >ARG.A 33 16.86 -0.13 -8.07 16.52 1.87 -5.76 16.69 0.87 -6.91 2 0 8.61 -999 ? OXT OCS A 118 >MET.A 34 21.39 1.65 -10.94 22.72 2.77 -14.68 22.05 2.21 -12.81 2 0 19.14 -999 ? OXT OCS A 118 >LYS~A 35 20.32 2.51 -7.43 20.92 -1.76 -2.83 20.62 0.38 -5.13 2 0 -8.25 -999 ? N OCS A 118s >GLU~A 36 25.05 3.88 -8.94 24.40 2.02 -9.70 24.72 2.95 -9.32 2 0 16.19 -999 ? OXT OCS A 118 >ILE~A 37 21.29 7.18 -10.20 21.17 7.46 -11.60 21.23 7.32 -10.90 3 0 17.24 -999 ? OXT OCS A 118 >SER~A 38 19.36 7.93 -6.30 17.21 7.13 -7.11 18.28 7.53 -6.71 2 0 12.92 -999 ? OXT OCS A 118 >LYS~A 39 21.98 7.53 -3.53 21.05 2.11 -1.70 21.51 4.82 -2.61 2 0 9.37 -999 ? OXT OCS A 118 >LYS~A 40 24.24 10.18 -5.07 26.53 7.34 -4.52 25.38 8.76 -4.79 2 0 17.29 -999 ? OXT OCS A 118 >LYS~A 41 21.64 12.77 -4.09 18.61 16.75 -5.97 20.13 14.76 -5.03 2 0 20.70 -999 ? OXT OCS A 118 >HIS~A 42 17.31 11.66 -2.71 16.45 12.76 -4.27 16.88 12.21 -3.49 3 0 15.32 -999 ? OXT OCS A 118 >GLY~A 43 22.04 9.59 0.68 21.42 9.27 0.23 21.73 9.43 0.46 1 0 14.56 -999 ? OXT OCS A 118 >THR.A 44 19.80 6.58 0.06 18.11 6.26 1.38 18.95 6.42 0.72 2 0 9.57 -999 ? OXT OCS A 118 >SER.A 45 17.97 4.95 -2.86 19.80 4.11 -4.19 18.89 4.53 -3.52 2 0 10.49 -999 ? OXT OCS A 118 >HIS.A 46 14.82 3.69 1.91 14.41 2.19 3.31 14.62 2.94 2.61 3 0 5.25 -999 ? OXT OCS A 118 >LYS^A 47 13.65 7.46 -2.47 10.19 8.73 1.53 11.92 8.09 -0.47 2 0 10.98 -999 ? OXT OCS A 118 >LEU^A 48 13.09 5.46 -6.84 13.41 4.61 -8.80 13.25 5.03 -7.82 3 0 11.34 -999 ? OXT OCS A 118 >ASP~A 49 15.61 10.88 -7.32 17.55 10.53 -8.04 16.58 10.71 -7.68 2 0 16.09 -999 ? OXT OCS A 118 >PRO~A 50 13.71 13.32 -10.40 13.95 11.12 -10.63 13.83 12.22 -10.51 3 0 18.32 -999 ? OXT OCS A 118 >GLU~A 51 18.74 13.24 -11.50 17.51 14.07 -9.97 18.13 13.66 -10.73 2 0 19.95 -999 ? OXT OCS A 118 >GLU~A 52 17.66 5.13 -10.68 17.32 3.91 -8.98 17.49 4.52 -9.83 2 0 12.44 -999 ? OXT OCS A 118 >LEU~A 53 12.76 7.23 -12.85 10.85 6.29 -13.26 11.81 6.76 -13.06 3 0 16.69 -999 ? OXT OCS A 118 >GLU~A 54 15.61 10.57 -18.03 17.41 10.09 -19.05 16.51 10.33 -18.54 2 0 23.90 -999 ? OXT OCS A 118 >LYS~A 55 17.72 6.00 -17.23 22.10 9.17 -17.34 19.91 7.58 -17.28 2 0 23.38 -999 ? OXT OCS A 118 >TYR.A 56 15.30 2.50 -15.18 17.09 2.25 -13.03 16.19 2.38 -14.11 3 0 16.17 -999 ? OXT OCS A 118 >LEU.A 57 12.67 6.62 -20.15 11.35 7.36 -18.61 12.01 6.99 -19.38 3 0 22.41 -999 ? OXT OCS A 118 >VAL.A 58 14.40 2.94 -23.01 16.31 1.91 -22.68 15.36 2.43 -22.84 3 0 24.52 -999 ? OXT OCS A 118 >GLU.A 59 12.56 -1.27 -24.32 12.38 -3.33 -23.87 12.47 -2.30 -24.10 2 0 20.84 -999 ? CH3 ACT A1001 >ASP.A 60 7.07 2.41 -25.92 5.35 3.63 -25.80 6.21 3.02 -25.86 2 0 19.29 -999 ? CH3 ACT A1001 >PHE.A 61 6.85 2.07 -19.76 7.62 4.38 -18.36 7.24 3.23 -19.06 3 0 17.81 -999 ? CH3 ACT A1001 >ASP.A 62 0.95 0.41 -20.89 0.93 0.10 -22.97 0.94 0.26 -21.93 2 0 13.06 -999 ? CH3 ACT A1001 >VAL^A 63 2.68 0.47 -16.85 1.34 -1.05 -15.99 2.01 -0.29 -16.42 3 0 11.25 -999 ? CH3 ACT A1001 >LEU^A 64 5.99 2.65 -14.03 7.93 2.97 -13.07 6.96 2.81 -13.55 3 0 14.78 -999 ? O1 SO4 A2001 >LEU^A 65 5.08 -2.85 -12.07 4.88 -4.72 -10.99 4.98 -3.79 -11.53 3 0 10.52 -999 ? O1 SO4 A2001 >VAL^A 66 7.63 -0.88 -8.63 8.55 1.09 -8.21 8.09 0.11 -8.42 3 0 10.99 -999 ? OXT OCS A 118 >GLY^A 67 8.44 -3.61 -6.11 8.81 -2.74 -6.18 8.62 -3.17 -6.15 1 0 8.81 -999 ? OXT OCS A 118 >THR^A 68 9.06 -1.36 -3.11 7.09 -0.55 -2.79 8.08 -0.96 -2.95 2 0 7.00 -999 ? O OCS A 118 >GLY.A 69 11.07 -3.87 -1.13 10.23 -4.03 -1.32 10.65 -3.95 -1.23 1 0 3.46 -999 ? O OCS A 118 >ILE.A 70 10.84 -7.98 1.44 10.36 -9.28 0.93 10.60 -8.63 1.18 3 0 5.83 -999 ? O OCS A 118 >TYR.A 71 10.03 -5.75 5.36 10.61 -8.30 6.40 10.32 -7.02 5.88 3 0 4.76 -999 ? OD2 OCS A 118 >GLY.A 72 7.71 -1.70 1.21 8.30 -1.66 1.70 8.01 -1.68 1.46 1 0 4.02 -999 ? O OCS A 118 >MET.A 73 10.31 0.81 2.36 9.58 0.49 5.30 9.94 0.65 3.83 2 0 4.98 -999 ? O OCS A 118 >LEU.A 74 11.83 1.40 -2.16 12.89 2.25 -3.85 12.36 1.83 -3.01 3 0 5.63 -999 ? OXT OCS A 118 >SER^A 75 9.03 4.83 -2.77 8.92 6.67 -1.21 8.98 5.75 -1.99 2 0 9.78 -999 ? OXT OCS A 118 >LEU^A 76 8.10 6.82 -7.07 8.26 5.56 -8.81 8.18 6.19 -7.94 3 0 13.11 -999 ? OXT OCS A 118 >LEU~A 77 11.00 11.42 -5.40 12.46 11.78 -3.85 11.73 11.60 -4.63 3 0 14.72 -999 ? OXT OCS A 118 >PRO~A 78 6.83 13.76 -4.14 7.46 12.70 -6.00 7.14 13.23 -5.07 3 0 17.38 -999 ? OXT OCS A 118 >GLU~A 79 10.56 15.91 -7.82 10.29 14.96 -5.94 10.43 15.44 -6.88 2 0 18.48 -999 ? OXT OCS A 118 >SER~A 80 9.67 10.66 -10.36 11.52 9.82 -9.08 10.59 10.24 -9.72 2 0 15.63 -999 ? OXT OCS A 118 >LYS~A 81 5.93 10.12 -10.42 3.79 9.82 -4.79 4.86 9.97 -7.60 2 0 14.98 -999 ? O4 SO4 A2001 >LYS~A 82 5.59 13.31 -12.47 2.73 18.07 -13.31 4.16 15.69 -12.89 2 0 23.96 -999 ? O1 SO4 A2001 >LEU~A 83 9.31 11.27 -14.75 11.09 11.49 -15.93 10.20 11.38 -15.34 3 0 21.37 -999 ? OXT OCS A 118 >VAL~A 84 5.45 9.01 -15.67 6.61 7.39 -14.77 6.03 8.20 -15.22 3 0 18.18 -999 ? O1 SO4 A2001 >GLU.A 85 2.29 13.18 -15.69 2.12 15.23 -15.22 2.21 14.21 -15.45 2 0 22.12 -999 ? O1 SO4 A2001 >ASP.A 86 1.23 10.25 -19.50 3.17 9.59 -20.03 2.20 9.92 -19.77 2 0 20.40 -999 ? CH3 ACT A1001 >LYS.A 87 1.28 6.01 -17.30 3.67 5.64 -22.14 2.48 5.82 -19.72 2 0 18.04 -999 ? CH3 ACT A1001 >GLU^A 88 -1.79 1.32 -14.52 -2.94 -0.25 -15.38 -2.37 0.53 -14.95 2 0 8.39 -999 ? CH3 ACT A1001 >VAL^A 89 1.82 3.39 -11.95 3.27 5.00 -11.66 2.54 4.19 -11.81 3 0 11.88 -999 ? O1 SO4 A2001 >ILE^A 90 1.43 -0.78 -9.93 0.53 -1.84 -10.25 0.98 -1.31 -10.09 3 0 7.07 -999 ? O1 SO4 A2001 >GLU^A 91 4.78 2.88 -6.57 5.55 4.59 -5.60 5.17 3.74 -6.08 2 0 11.88 -999 ? O1 SO4 A2001 >LYS^A 92 3.57 -2.56 -3.97 -1.63 -1.35 -3.56 0.97 -1.95 -3.77 2 0 -2.89 -999 ? O1 SO4 A2001s >PRO~A 93 4.29 -3.98 0.11 5.26 -4.17 -1.89 4.78 -4.08 -0.89 3 0 7.40 -999 ? O OCS A 118 >THR~A 94 8.03 -6.80 -3.67 10.13 -6.76 -4.08 9.08 -6.78 -3.88 2 0 7.45 -999 ? O OCS A 118 >LYS~A 95 6.49 -10.23 -3.34 8.04 -15.13 -0.52 7.27 -12.68 -1.93 2 0 12.93 -999 ? O OCS A 118 >GLU~A 96 0.89 -7.54 -4.02 -0.24 -6.06 -3.02 0.32 -6.80 -3.52 2 0 -2.84 -999 ? O3 SO4 A2001s >ALA~A 97 4.45 -6.75 -6.89 5.52 -5.67 -6.73 4.98 -6.21 -6.81 2 0 9.06 -999 ? O1 SO4 A2001 >LEU~A 98 7.41 -10.44 -8.11 9.43 -9.82 -8.57 8.42 -10.13 -8.34 3 0 13.09 -999 ? O OCS A 118 >LYS~A 99 3.06 -11.85 -8.25 2.05 -17.05 -8.24 2.55 -14.45 -8.25 2 0 11.94 -999 ? OXT ACT A1001 >LEU~A 100 0.82 -7.64 -9.36 -0.81 -6.34 -9.90 0.00 -6.99 -9.63 3 0 6.72 -999 ? O1 SO4 A2001 >LEU~A 101 5.29 -8.54 -12.39 6.68 -7.70 -13.83 5.98 -8.12 -13.11 3 0 11.28 -999 ? OXT ACT A1001 >GLU~A 102 3.16 -14.88 -12.87 3.38 -16.29 -11.32 3.27 -15.59 -12.09 2 0 11.24 -999 ? OXT ACT A1001 >GLU~A 103 -2.78 -11.45 -12.57 -3.84 -10.54 -11.00 -3.31 -10.99 -11.79 2 0 -3.49 -999 ? OXT ACT A1001s >LEU~A 104 -0.08 -7.46 -15.38 -1.40 -6.31 -14.13 -0.74 -6.89 -14.75 3 0 5.20 -999 ? OXT ACT A1001 >TRP~A 105 5.23 -11.51 -19.72 7.62 -8.47 -18.97 6.42 -9.99 -19.34 3 0 12.74 -999 ? OXT ACT A1001 >GLY.A 106 1.72 -10.51 -21.76 1.48 -9.82 -21.49 1.60 -10.16 -21.63 1 0 10.33 -999 ? CH3 ACT A1001 >LYS.A 107 -0.88 -7.85 -22.37 -6.37 -10.78 -21.18 -3.62 -9.32 -21.77 2 0 6.28 -999 ? CH3 ACT A1001 >LYS.A 108 0.18 -4.36 -21.38 -4.32 -2.02 -17.58 -2.07 -3.19 -19.48 2 0 6.56 -999 ? CH3 ACT A1001 >ARG.A 109 4.06 -1.78 -25.33 3.16 1.01 -26.20 3.61 -0.39 -25.77 2 0 16.76 -999 ? CH3 ACT A1001 >ILE^A 110 4.78 -4.34 -17.38 3.88 -4.89 -16.48 4.33 -4.62 -16.93 3 0 11.06 -999 ? OXT ACT A1001 >LEU^A 111 8.81 -0.17 -17.32 10.82 0.67 -17.15 9.82 0.25 -17.24 3 0 18.04 -999 ? CH3 ACT A1001 >ALA^A 112 9.29 -3.03 -13.58 8.92 -4.51 -13.34 9.10 -3.77 -13.46 2 0 14.78 -999 ? O1 SO4 A2001 >ILE^A 113 11.94 -0.30 -10.70 12.56 0.96 -10.86 12.25 0.33 -10.78 3 0 12.19 -999 ? OXT OCS A 118 >ILE^A 114 12.38 -5.86 -8.78 11.02 -6.35 -8.57 11.70 -6.11 -8.68 3 0 10.82 -999 ? OXT OCS A 118 >HIS^A 115 14.33 -2.08 -2.96 15.73 -1.62 -1.46 15.03 -1.85 -2.21 3 0 3.93 -999 ? OXT OCS A 118 >VAL.A 116 14.85 -6.91 -3.26 16.35 -7.75 -4.64 15.60 -7.33 -3.95 3 0 6.75 -999 ? N OCS A 118 >THR.A 117 15.62 -5.81 0.30 17.66 -5.08 0.10 16.64 -5.45 0.20 2 0 3.60 -999 ? N OCS A 118 >CYH?A 118 13.62 -3.58 2.72 15.24 -3.61 5.02 14.43 -3.59 3.87 2 0 0.00 -999 ? SG OCS A 118