REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 25-MAR-04 1SU0 COMPND NIFU LIKE PROTEIN ISCU; COMPND 3 CHAIN: B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PYOGENES; SOURCE 3 ORGANISM_TAXID: 1314; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562 AUTHOR J.LIU,N.OGANESYAN,D.-H.SHIN,J.JANCARIK,R.PUFAN,H.YOKOTA,R.KIM,S.- AUTHOR 2 H.KIM,BERKELEY STRUCTURAL GENOMICS CENTER (BSGC) HET ZN B 160 1 SITE 1 AC1 4 CYS B 40 ASP B 42 CYS B 65 CYS B 127 >LEU.B 6 35.49 27.61 27.65 36.18 28.90 29.31 35.84 28.25 28.48 3 0 27.76 -999 ? ZN ZN B 160 >ASN~B 7 34.06 32.19 25.26 32.59 33.66 24.62 33.33 32.92 24.94 2 0 20.84 -999 ? ZN ZN B 160 >HIS~B 8 37.89 29.34 21.44 38.38 27.41 22.09 38.13 28.38 21.77 3 0 25.60 -999 ? ZN ZN B 160 >LEU~B 9 33.98 26.67 21.03 34.65 25.20 19.64 34.32 25.94 20.33 3 0 23.86 -999 ? ZN ZN B 160 >TYR~B 10 30.13 29.97 22.78 29.57 28.54 25.14 29.85 29.26 23.96 3 0 21.06 -999 ? ZN ZN B 160 >MET~B 11 32.13 32.34 17.69 32.47 35.81 16.39 32.30 34.08 17.04 2 0 15.49 -999 ? ZN ZN B 160 >ALA~B 12 32.94 29.44 15.38 33.98 28.40 15.65 33.46 28.92 15.52 2 0 20.48 -999 ? ZN ZN B 160 >VAL~B 13 29.49 27.93 15.90 28.69 26.49 17.32 29.09 27.21 16.61 3 0 18.55 -999 ? ZN ZN B 160 >VAL~B 14 27.66 31.21 15.22 27.02 32.88 16.44 27.34 32.04 15.83 3 0 13.64 -999 ? ZN ZN B 160 >ALA~B 15 29.94 31.96 12.26 31.44 32.14 12.32 30.69 32.05 12.29 2 0 15.59 -999 ? ZN ZN B 160 >ASP~B 16 29.54 27.16 11.60 29.15 25.40 10.35 29.35 26.28 10.98 2 0 19.18 -999 ? ZN ZN B 160 >HIS~B 17 24.39 27.84 12.88 23.85 25.98 13.66 24.12 26.91 13.27 3 0 15.92 -999 ? ZN ZN B 160 >SER~B 18 25.84 32.37 9.14 27.61 33.43 10.41 26.72 32.90 9.78 2 0 11.81 -999 ? ZN ZN B 160 >LYS~B 19 28.42 31.38 6.53 33.90 33.49 9.20 31.16 32.44 7.86 2 0 16.85 -999 ? ZN ZN B 160 >ARG~B 20 29.48 24.46 5.54 29.92 21.42 5.13 29.70 22.94 5.34 2 0 23.71 -999 ? ZN ZN B 160 >PRO.B 21 23.47 29.68 5.67 24.27 27.80 6.57 23.87 28.74 6.12 3 0 14.65 -999 ? ZN ZN B 160 >HIS.B 22 23.11 23.66 9.89 25.03 23.34 10.68 24.07 23.50 10.28 3 0 18.99 -999 ? ZN ZN B 160 >HIS.B 23 17.90 21.88 7.90 17.89 20.14 9.07 17.89 21.01 8.49 3 0 21.06 -999 ? ZN ZN B 160 >HIS.B 24 20.97 27.82 2.51 20.88 29.80 1.83 20.92 28.81 2.17 3 0 15.73 -999 ? ZN ZN B 160 >GLY.B 25 17.76 26.07 -0.07 17.37 26.16 0.68 17.57 26.12 0.30 1 0 19.25 -999 ? ZN ZN B 160 >GLN.B 26 14.00 27.61 -1.77 12.94 28.82 -0.35 13.47 28.22 -1.06 2 0 18.33 -999 ? ZN ZN B 160 >LEU.B 27 11.26 21.58 0.58 12.11 20.85 2.45 11.69 21.22 1.52 3 0 23.92 -999 ? ZN ZN B 160 >ASP.B 28 10.92 19.67 -4.68 12.65 20.31 -5.79 11.79 19.99 -5.23 2 0 28.02 -999 ? ZN ZN B 160 >GLY.B 29 6.57 21.05 -4.32 6.99 21.38 -3.72 6.78 21.22 -4.02 1 0 28.74 -999 ? ZN ZN B 160 >VAL.B 30 6.20 23.02 -1.06 7.04 22.21 0.81 6.62 22.62 -0.12 3 0 25.55 -999 ? ZN ZN B 160 >GLU.B 31 2.27 26.49 -2.05 0.90 24.88 -1.74 1.58 25.68 -1.89 2 0 28.06 -999 ? ZN ZN B 160 >ALA.B 32 7.22 28.65 0.78 8.44 29.19 0.07 7.83 28.92 0.42 2 0 19.89 -999 ? ZN ZN B 160 >VAL^B 33 6.66 31.21 3.52 5.59 30.77 5.35 6.13 30.99 4.43 3 0 18.29 -999 ? ZN ZN B 160 >GLN^B 34 9.53 34.33 0.74 8.81 33.14 -0.88 9.17 33.74 -0.07 2 0 18.00 -999 ? ZN ZN B 160 >LEU^B 35 8.37 37.06 6.99 6.88 35.69 7.77 7.63 36.37 7.38 3 0 13.42 -999 ? ZN ZN B 160 >ASN^B 36 11.25 40.84 4.35 9.75 42.29 3.87 10.50 41.57 4.11 2 0 11.84 -999 ? ZN ZN B 160 >ASN.B 37 13.77 43.98 6.89 12.33 45.45 6.26 13.05 44.71 6.57 2 0 9.09 -999 ? ZN ZN B 160 >PRO.B 38 15.14 42.91 11.56 13.35 43.88 10.54 14.25 43.39 11.05 3 0 5.35 -999 ? ZN ZN B 160 >THR.B 39 14.37 47.35 8.96 13.84 49.26 9.90 14.10 48.30 9.43 2 0 9.25 -999 ? ZN ZN B 160 >CYH.B 40 17.82 45.78 8.72 20.02 44.29 9.55 18.92 45.03 9.13 2 0 -2.76 -999 ? ZN ZN B 160s >GLY.B 41 16.99 44.20 5.36 17.06 43.68 5.99 17.02 43.94 5.67 1 0 6.35 -999 ? ZN ZN B 160 >ASP.B 42 16.77 39.89 7.58 18.23 40.89 8.83 17.50 40.39 8.21 2 0 -2.46 -999 ? ZN ZN B 160s >VAL^B 43 14.42 38.18 4.11 14.81 39.03 2.10 14.61 38.61 3.10 3 0 9.61 -999 ? ZN ZN B 160 >ILE^B 44 13.71 33.97 5.67 13.48 33.15 6.74 13.60 33.56 6.21 3 0 11.12 -999 ? ZN ZN B 160 >SER^B 45 11.69 31.91 2.18 11.07 30.98 0.02 11.38 31.44 1.10 2 0 17.43 -999 ? ZN ZN B 160 >LEU^B 46 10.70 29.46 5.95 10.88 27.78 7.37 10.79 28.62 6.66 3 0 16.34 -999 ? ZN ZN B 160 >THR^B 47 9.55 25.89 2.88 10.75 25.45 1.12 10.15 25.67 2.00 2 0 20.93 -999 ? ZN ZN B 160 >VAL^B 48 8.25 23.45 5.51 8.16 24.02 7.61 8.20 23.73 6.56 3 0 21.74 -999 ? ZN ZN B 160 >LYS^B 49 7.16 19.86 4.97 6.74 15.50 1.79 6.95 17.68 3.38 2 0 30.61 -999 ? ZN ZN B 160 >PHE^B 50 3.92 20.24 8.29 4.46 22.94 8.79 4.19 21.59 8.54 3 0 25.46 -999 ? ZN ZN B 160 >ASP.B 51 5.30 13.25 6.89 5.15 11.80 8.48 5.23 12.53 7.69 2 0 33.37 -999 ? ZN ZN B 160 >GLU.B 52 1.60 12.23 12.03 1.02 10.37 11.21 1.31 11.30 11.62 2 0 36.49 -999 ? ZN ZN B 160 >ASP.B 53 0.70 16.56 13.87 -0.13 18.42 14.59 0.28 17.49 14.23 2 0 30.76 -999 ? ZN ZN B 160 >LYS.B 54 5.25 16.69 12.77 7.36 11.63 11.12 6.30 14.16 11.94 2 0 32.57 -999 ? ZN ZN B 160 >ILE^B 55 8.57 19.71 11.05 8.84 21.07 11.14 8.71 20.39 11.10 3 0 24.01 -999 ? ZN ZN B 160 >GLU^B 56 8.59 14.02 6.35 10.36 13.53 5.29 9.48 13.77 5.82 2 0 30.27 -999 ? ZN ZN B 160 >ASP^B 57 12.19 17.87 5.25 14.35 18.15 4.99 13.27 18.01 5.12 2 0 24.95 -999 ? ZN ZN B 160 >ILE^B 58 12.44 22.70 7.89 12.72 23.49 9.00 12.58 23.09 8.45 3 0 20.13 -999 ? ZN ZN B 160 >ALA^B 59 14.61 24.53 4.30 14.70 23.90 2.92 14.66 24.21 3.61 2 0 20.18 -999 ? ZN ZN B 160 >PHE^B 60 16.69 29.24 5.86 19.25 29.86 6.71 17.97 29.55 6.28 3 0 13.21 -999 ? ZN ZN B 160 >ALA^B 61 16.89 30.88 1.80 16.71 30.45 0.36 16.80 30.66 1.08 2 0 15.70 -999 ? ZN ZN B 160 >GLY^B 62 17.19 34.64 1.89 17.95 34.36 1.85 17.57 34.50 1.87 1 0 11.67 -999 ? ZN ZN B 160 >ASN^B 63 19.49 38.44 1.61 20.33 40.36 2.06 19.91 39.40 1.84 2 0 8.89 -999 ? ZN ZN B 160 >GLY.B 64 20.49 38.97 6.11 21.15 38.65 5.82 20.82 38.81 5.97 1 0 5.61 -999 ? ZN ZN B 160 >CYH~B 65 22.99 40.06 8.70 21.52 40.56 11.13 22.26 40.31 9.92 2 0 -2.56 -999 ? ZN ZN B 160s >THR~B 66 25.14 37.46 10.48 27.20 37.30 11.13 26.17 37.38 10.80 2 0 9.08 -999 ? ZN ZN B 160 >ILE~B 67 22.20 38.54 14.17 22.59 38.34 15.53 22.40 38.44 14.85 3 0 6.14 -999 ? ZN ZN B 160 >SER~B 68 19.63 36.71 11.21 17.80 37.35 9.83 18.72 37.03 10.52 2 0 4.90 -999 ? ZN ZN B 160 >THR~B 69 21.13 34.01 9.02 22.38 34.10 7.21 21.76 34.05 8.12 2 0 9.08 -999 ? ZN ZN B 160 >ALA~B 70 22.65 32.25 12.01 23.54 32.88 13.05 23.09 32.56 12.53 2 0 10.19 -999 ? ZN ZN B 160 >SER~B 71 19.25 32.35 13.75 17.52 33.34 15.08 18.39 32.85 14.42 2 0 9.76 -999 ? ZN ZN B 160 >SER~B 72 17.41 30.92 10.74 16.85 32.84 9.41 17.13 31.88 10.08 2 0 9.50 -999 ? ZN ZN B 160 >SER~B 73 19.90 28.12 10.42 22.09 27.14 10.21 20.99 27.63 10.31 2 0 15.02 -999 ? ZN ZN B 160 >MET~B 74 19.71 27.27 14.12 22.24 30.06 16.19 20.98 28.66 15.16 2 0 13.33 -999 ? ZN ZN B 160 >MET~B 75 15.89 27.49 14.10 12.90 27.44 12.06 14.39 27.47 13.08 2 0 15.90 -999 ? ZN ZN B 160 >THR~B 76 15.77 24.68 11.48 17.03 25.21 9.73 16.40 24.95 10.61 2 0 16.88 -999 ? ZN ZN B 160 >ASP~B 77 19.29 22.74 14.16 20.90 22.52 12.75 20.10 22.63 13.46 2 0 19.53 -999 ? ZN ZN B 160 >ALA~B 78 15.70 23.08 16.63 15.62 24.45 17.33 15.66 23.76 16.98 2 0 19.02 -999 ? ZN ZN B 160 >VAL~B 79 12.31 22.41 15.08 11.94 24.37 14.17 12.13 23.39 14.63 3 0 20.25 -999 ? ZN ZN B 160 >ILE~B 80 14.26 19.33 11.84 14.19 18.00 11.65 14.22 18.66 11.74 3 0 23.82 -999 ? ZN ZN B 160 >GLY.B 81 10.48 16.82 13.42 10.46 17.53 13.82 10.47 17.17 13.62 1 0 26.74 -999 ? ZN ZN B 160 >LYS.B 82 8.54 18.54 16.20 13.02 18.54 18.22 10.78 18.54 17.21 2 0 25.33 -999 ? ZN ZN B 160 >SER~B 83 4.85 19.63 16.05 3.37 19.61 18.08 4.11 19.62 17.06 2 0 28.39 -999 ? ZN ZN B 160 >LYS~B 84 2.69 22.67 15.32 -3.70 21.98 16.28 -0.51 22.33 15.80 2 0 30.98 -999 ? ZN ZN B 160 >GLU~B 85 0.44 23.12 20.47 -0.46 22.22 22.15 -0.01 22.67 21.31 2 0 30.17 -999 ? ZN ZN B 160 >GLU~B 86 6.19 19.42 20.58 7.42 17.71 20.57 6.80 18.56 20.57 2 0 28.70 -999 ? ZN ZN B 160 >ALA~B 87 7.73 24.08 17.42 7.48 23.95 15.94 7.60 24.02 16.68 2 0 22.14 -999 ? ZN ZN B 160 >LEU~B 88 3.92 26.98 18.37 2.81 27.73 16.64 3.37 27.35 17.50 3 0 22.65 -999 ? ZN ZN B 160 >ALA~B 89 6.47 26.52 22.13 6.29 25.25 22.94 6.38 25.88 22.54 2 0 24.43 -999 ? ZN ZN B 160 >LEU~B 90 10.84 25.80 20.19 11.76 23.95 20.74 11.30 24.87 20.46 3 0 21.19 -999 ? ZN ZN B 160 >ALA~B 91 9.40 29.89 19.22 8.32 29.98 18.15 8.86 29.93 18.68 2 0 17.85 -999 ? ZN ZN B 160 >ASP~B 92 6.65 30.80 23.08 4.76 31.36 22.11 5.70 31.08 22.59 2 0 21.29 -999 ? ZN ZN B 160 >ILE~B 93 11.46 28.70 24.48 11.72 27.52 25.13 11.59 28.11 24.81 3 0 21.16 -999 ? ZN ZN B 160 >PHE~B 94 14.56 32.13 19.70 16.63 33.45 18.49 15.60 32.79 19.10 3 0 12.90 -999 ? ZN ZN B 160 >SER~B 95 11.38 35.02 21.63 9.54 36.28 20.78 10.46 35.65 21.21 2 0 15.12 -999 ? ZN ZN B 160 >GLU~B 96 9.20 34.38 26.49 8.41 32.65 27.36 8.81 33.52 26.92 2 0 21.93 -999 ? ZN ZN B 160 >MET~B 97 15.05 34.46 25.72 18.09 31.77 24.31 16.57 33.12 25.01 2 0 16.96 -999 ? ZN ZN B 160 >VAL~B 98 15.96 37.36 23.37 15.61 36.73 21.28 15.79 37.04 22.33 3 0 13.04 -999 ? ZN ZN B 160 >GLN.B 99 12.09 39.56 24.26 10.04 39.93 23.92 11.07 39.74 24.09 2 0 16.24 -999 ? ZN ZN B 160 >GLY.B 100 16.33 38.83 28.65 15.69 38.39 28.56 16.01 38.61 28.60 1 0 18.40 -999 ? ZN ZN B 160 >GLN.B 101 11.83 36.78 29.75 9.78 36.09 29.67 10.81 36.44 29.71 2 0 21.98 -999 ? ZN ZN B 160 >GLU.B 102 17.92 33.58 33.71 18.68 33.24 35.68 18.30 33.41 34.70 2 0 26.38 -999 ? ZN ZN B 160 >ASN~B 103 13.42 29.98 30.39 11.93 28.45 30.27 12.67 29.21 30.33 2 0 24.84 -999 ? ZN ZN B 160 >PRO~B 104 15.20 26.22 33.95 15.65 26.85 31.86 15.43 26.53 32.90 3 0 27.23 -999 ? ZN ZN B 160 >ALA~B 105 13.94 25.35 28.67 12.48 25.72 28.56 13.21 25.53 28.62 2 0 25.02 -999 ? ZN ZN B 160 >GLN~B 106 16.16 29.79 27.02 16.95 31.44 28.10 16.55 30.61 27.56 2 0 20.39 -999 ? ZN ZN B 160 >LYS~B 107 18.35 24.15 26.41 18.90 20.60 31.04 18.63 22.38 28.72 2 0 29.41 -999 ? ZN ZN B 160 >GLU~B 108 13.95 21.91 25.65 14.86 20.03 25.66 14.40 20.97 25.65 2 0 26.84 -999 ? ZN ZN B 160 >LEU~B 109 16.86 26.87 21.94 15.16 28.13 22.40 16.01 27.50 22.17 3 0 18.67 -999 ? ZN ZN B 160 >GLY~B 110 20.02 23.71 20.86 19.89 24.51 21.04 19.95 24.11 20.95 1 0 20.81 -999 ? ZN ZN B 160 >GLU~B 111 24.59 24.48 18.35 25.56 23.74 16.60 25.07 24.11 17.48 2 0 20.05 -999 ? ZN ZN B 160 >ALA~B 112 20.13 28.77 18.95 18.67 28.62 18.61 19.40 28.70 18.78 2 0 15.43 -999 ? ZN ZN B 160 >GLU~B 113 20.79 28.25 25.07 21.29 26.68 26.40 21.04 27.47 25.73 2 0 21.90 -999 ? ZN ZN B 160 >LEU~B 114 24.86 30.45 20.67 26.40 28.96 21.18 25.63 29.71 20.93 3 0 17.05 -999 ? ZN ZN B 160 >LEU~B 115 20.82 33.85 19.48 21.58 33.81 17.46 21.20 33.83 18.47 3 0 11.30 -999 ? ZN ZN B 160 >ALA~B 116 20.72 34.67 24.25 21.12 33.90 25.48 20.92 34.28 24.87 2 0 16.84 -999 ? ZN ZN B 160 >GLY~B 117 23.05 37.66 23.90 22.41 37.56 23.46 22.73 37.61 23.68 1 0 14.27 -999 ? ZN ZN B 160 >VAL~B 118 20.81 39.47 21.40 19.96 38.14 19.86 20.38 38.80 20.63 3 0 10.39 -999 ? ZN ZN B 160 >ALA~B 119 18.49 40.55 24.22 18.06 39.75 25.46 18.27 40.15 24.84 2 0 14.91 -999 ? ZN ZN B 160 >LYS~B 120 21.17 43.21 24.79 25.17 42.08 25.35 23.17 42.64 25.07 2 0 15.69 -999 ? ZN ZN B 160 >PHE~B 121 23.10 43.79 20.70 25.73 43.55 21.57 24.41 43.67 21.13 3 0 11.66 -999 ? ZN ZN B 160 >PRO~B 122 17.85 47.56 22.19 17.90 45.74 20.83 17.88 46.65 21.51 3 0 11.84 -999 ? ZN ZN B 160 >GLN~B 123 18.37 48.75 16.49 19.75 50.10 15.52 19.06 49.43 16.00 2 0 9.49 -999 ? ZN ZN B 160 >ARG~B 124 21.80 43.07 15.60 23.93 43.87 13.56 22.86 43.47 14.58 2 0 5.70 -999 ? ZN ZN B 160 >ILE~B 125 14.83 41.82 19.32 15.00 41.22 20.58 14.91 41.52 19.95 3 0 10.22 -999 ? ZN ZN B 160 >LYS~B 126 13.86 41.14 15.14 9.77 43.45 15.65 11.81 42.29 15.39 2 0 10.89 -999 ? ZN ZN B 160 >CYH~B 127 16.92 39.92 13.16 18.65 42.19 12.87 17.78 41.05 13.02 2 0 -2.24 -999 ? ZN ZN B 160s >SER~B 128 16.90 36.80 15.34 16.50 37.52 17.60 16.70 37.16 16.47 2 0 8.61 -999 ? ZN ZN B 160 >THR~B 129 13.11 36.19 15.46 12.34 37.76 16.73 12.72 36.98 16.10 2 0 10.11 -999 ? ZN ZN B 160 >LEU~B 130 13.38 37.13 10.68 12.68 37.84 8.70 13.03 37.48 9.69 3 0 7.80 -999 ? ZN ZN B 160 >ALA~B 131 12.97 32.75 11.03 14.24 32.02 11.21 13.60 32.39 11.12 2 0 11.14 -999 ? ZN ZN B 160 >TRP~B 132 13.68 32.08 15.98 13.30 28.36 17.20 13.49 30.22 16.59 3 0 14.31 -999 ? ZN ZN B 160 >ASN~B 133 7.93 35.40 12.83 8.38 36.09 14.82 8.16 35.75 13.82 2 0 13.07 -999 ? ZN ZN B 160 >ALA~B 134 8.21 32.42 9.27 9.40 32.50 8.31 8.81 32.46 8.79 2 0 13.92 -999 ? ZN ZN B 160 >LEU~B 135 8.81 28.57 12.14 8.94 26.45 12.54 8.88 27.51 12.34 3 0 17.88 -999 ? ZN ZN B 160 >LYS~B 136 4.83 30.26 13.04 5.35 34.33 17.73 5.09 32.30 15.39 2 0 17.39 -999 ? ZN ZN B 160 >GLU~B 137 3.01 33.64 9.11 4.01 34.65 10.67 3.51 34.14 9.89 2 0 16.99 -999 ? ZN ZN B 160 >ALA~B 138 4.17 27.90 8.04 5.60 27.41 7.87 4.89 27.65 7.96 2 0 20.20 -999 ? ZN ZN B 160 >ILE~B 139 3.19 25.78 12.22 3.72 25.26 13.39 3.45 25.52 12.80 3 0 22.93 -999 ? ZN ZN B 160 >LYS~B 140 -0.50 27.74 10.95 -2.39 31.80 9.09 -1.45 29.77 10.02 2 0 24.06 -999 ? ZN ZN B 160 >ARG.B 141 -2.49 23.76 7.24 -4.92 23.14 9.01 -3.71 23.45 8.12 2 0 30.75 -999 ? ZN ZN B 160