REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 27-OCT-08 3F14 COMPND UNCHARACTERIZED NTF2-LIKE PROTEIN; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: CYTOPHAGA HUTCHINSONII ATCC 33406; SOURCE 3 ORGANISM_TAXID: 269798; SOURCE 4 ATCC: 33406; SOURCE 5 GENE: CHU_3788, YP_680363.1; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: HK100; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: SPEEDET AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) HET MSE A 1 8 HET MSE A 51 16 HET MSE A 55 8 HET TRS A 112 16 HET PGE A 113 10 SITE 1 AC1 8 PHE A 12 SER A 13 PHE A 17 MSE A 55 SITE 1 AC2 4 GLU A 54 TRS A 112 HOH A 198 HOH A 202 >GLY~A 0 58.03 1.60 5.77 57.98 2.42 5.63 58.00 2.01 5.70 1 0 22.90 -999 ? O3 BTRS A 112 >MET?A 1 54.60 2.54 7.08 51.21 1.74 6.34 52.90 2.14 6.71 2 0 20.12 -999 ? O3 ATRS A 112 >THR~A 3 57.78 7.06 6.99 59.40 5.87 6.25 58.59 6.46 6.62 2 0 20.15 -999 ? O3 BTRS A 112 >THR~A 4 54.74 7.07 4.68 54.28 5.03 4.23 54.51 6.05 4.46 2 0 18.34 -999 ? O3 BTRS A 112 >HIS~A 5 51.34 6.36 8.80 50.18 4.62 8.95 50.76 5.49 8.88 3 0 16.38 -999 ? O3 ATRS A 112 >TYR~A 6 57.30 11.94 8.97 58.91 14.20 9.38 58.11 13.07 9.18 3 0 14.27 -999 ? N BTRS A 112 >SER~A 7 55.09 12.22 4.84 55.66 12.28 2.53 55.38 12.25 3.68 2 0 13.73 -999 ? O3 BTRS A 112 >ILE~A 8 50.37 11.08 4.67 49.42 10.12 4.33 49.89 10.60 4.50 3 0 11.61 -999 ? O3 ATRS A 112 >ALA~A 9 50.84 14.19 7.68 51.15 13.63 9.10 51.00 13.91 8.39 2 0 9.12 -999 ? O3 ATRS A 112 >GLN~A 10 55.91 15.85 7.66 56.50 17.39 9.02 56.20 16.62 8.34 2 0 10.37 -999 ? N BTRS A 112 >HIS~A 11 53.03 16.27 1.50 54.77 15.81 0.42 53.90 16.04 0.96 3 0 11.09 -999 ? O3 BTRS A 112 >PHE~A 12 46.10 17.29 5.61 43.48 18.21 5.76 44.79 17.75 5.68 3 0 -4.24 -999 ? O3 ATRS A 112s >SER~A 13 49.58 19.96 7.87 49.59 18.67 9.96 49.58 19.31 8.91 2 0 -4.55 -999 ? N BTRS A 112s >SER~A 14 51.66 22.28 5.69 53.00 20.98 4.20 52.33 21.63 4.94 2 0 7.18 -999 ? O3 BTRS A 112 >GLY.A 15 48.57 22.92 3.44 49.07 22.37 3.23 48.82 22.64 3.34 1 0 4.37 -999 ? C3 BTRS A 112 >ASP~A 16 51.04 20.35 0.22 51.39 19.79 -1.81 51.22 20.07 -0.80 2 0 10.48 -999 ? O3 BTRS A 112 >PHE~A 17 44.82 20.55 1.79 44.36 22.43 3.79 44.59 21.49 2.79 3 0 -4.99 -999 ? O3 BTRS A 112s >PRO~A 18 46.15 20.06 -3.71 46.43 18.19 -2.55 46.29 19.13 -3.13 3 0 10.73 -999 ? O3 BTRS A 112 >ALA~A 19 49.54 15.69 -2.48 50.86 16.18 -1.82 50.20 15.93 -2.15 2 0 11.38 -999 ? O3 BTRS A 112 >VAL~A 20 47.52 13.41 -0.19 48.27 14.25 1.71 47.89 13.83 0.76 3 0 10.11 -999 ? O3 BTRS A 112 >TYR~A 21 43.16 15.49 -2.52 42.78 18.20 -2.19 42.97 16.85 -2.36 3 0 11.31 -999 ? O3 BTRS A 112 >ALA~A 22 44.81 9.75 -2.95 45.88 9.47 -3.95 45.34 9.61 -3.45 2 0 16.43 -999 ? O3 BTRS A 112 >CYH.A 23 45.56 8.69 0.68 48.26 9.34 0.49 46.91 9.02 0.58 2 0 13.96 -999 ? O3 BTRS A 112 >PHE^A 24 41.63 12.22 1.72 42.31 14.91 2.11 41.97 13.56 1.91 3 0 10.47 -999 ? O3 ATRS A 112 >ASN^A 25 39.75 6.50 4.76 38.79 4.62 5.01 39.27 5.56 4.88 2 0 18.40 -999 ? O3 ATRS A 112 >ASP^A 26 35.87 5.40 1.03 36.73 4.67 -0.72 36.30 5.03 0.16 2 0 20.85 -999 ? O3 ATRS A 112 >ILE^A 27 33.94 6.79 5.50 33.42 5.51 5.83 33.68 6.15 5.67 3 0 19.76 -999 ? O3 ATRS A 112 >ILE^A 28 38.62 10.83 5.12 39.40 11.93 4.53 39.01 11.38 4.82 3 0 12.56 -999 ? O3 ATRS A 112 >GLU^A 29 34.55 11.44 9.44 33.25 11.03 11.06 33.90 11.23 10.25 2 0 16.65 -999 ? C1 ATRS A 112 >TRP^A 30 40.29 18.14 9.59 41.24 20.82 6.86 40.76 19.48 8.22 3 0 5.60 -999 ? C1 ATRS A 112 >ASN^A 31 36.95 16.64 13.75 36.08 17.53 15.45 36.51 17.08 14.60 2 0 11.53 -999 ? C6 PGE A 113 >ILE^A 32 37.94 22.22 11.52 38.52 23.00 10.43 38.23 22.61 10.97 3 0 4.62 -999 ? O4 PGE A 113 >ILE.A 33 38.67 21.55 17.48 38.17 20.54 18.46 38.42 21.04 17.97 3 0 9.90 -999 ? O1 ATRS A 112 >GLY.A 34 35.10 24.60 17.20 35.14 24.24 16.49 35.12 24.42 16.85 1 0 9.22 -999 ? O4 PGE A 113 >ASN.A 35 35.37 25.10 12.65 34.97 26.16 10.82 35.17 25.63 11.73 2 0 4.92 -999 ? O4 PGE A 113 >GLN^A 36 33.33 22.37 9.45 32.59 23.43 7.78 32.96 22.90 8.61 2 0 7.99 -999 ? O4 PGE A 113 >VAL^A 37 33.16 18.10 10.85 32.99 16.36 12.13 33.07 17.23 11.49 3 0 11.75 -999 ? O4 PGE A 113 >VAL^A 38 33.55 17.45 7.07 34.38 18.90 5.68 33.96 18.17 6.37 3 0 10.75 -999 ? O4 PGE A 113 >LYS^A 39 32.72 13.83 6.16 29.04 11.20 9.96 30.88 12.52 8.06 2 0 18.84 -999 ? O4 PGE A 113 >GLY~A 40 33.46 11.56 3.23 33.97 12.17 3.39 33.71 11.87 3.31 1 0 16.66 -999 ? O3 ATRS A 112 >LYS~A 41 36.22 11.64 0.63 40.52 8.11 -2.12 38.37 9.87 -0.75 2 0 17.31 -999 ? O3 ATRS A 112 >ALA~A 42 34.39 13.85 -1.89 33.12 13.52 -2.71 33.76 13.68 -2.30 2 0 18.42 -999 ? O3 ATRS A 112 >ASP~A 43 32.29 16.18 1.84 30.27 16.01 1.24 31.28 16.10 1.54 2 0 16.48 -999 ? O4 PGE A 113 >VAL~A 44 36.72 16.59 2.36 37.63 15.61 4.10 37.17 16.10 3.23 3 0 11.35 -999 ? O3 ATRS A 112 >ILE~A 45 38.60 15.93 -2.16 39.35 15.11 -3.04 38.97 15.52 -2.60 3 0 13.79 -999 ? O3 ATRS A 112 >ASP~A 46 34.49 19.55 -2.29 33.92 18.46 -4.03 34.21 19.00 -3.16 2 0 16.86 -999 ? O4 PGE A 113 >PHE~A 47 36.18 21.88 3.75 36.22 23.57 5.90 36.20 22.73 4.83 3 0 7.06 -999 ? O4 PGE A 113 >CYH~A 48 40.26 21.30 0.96 41.22 19.10 2.43 40.74 20.20 1.70 2 0 7.55 -999 ? O3 ATRS A 112 >ASN~A 49 39.51 21.89 -3.86 40.72 20.31 -4.65 40.12 21.10 -4.26 2 0 13.40 -999 ? O3 BTRS A 112 >LYS~A 50 38.20 25.62 -1.30 31.99 26.62 -1.90 35.10 26.12 -1.60 2 0 13.73 -999 ? O4 PGE A 113 >MET?A 51 40.83 26.50 1.27 40.88 24.54 4.90 40.86 25.52 3.08 2 0 5.08 -999 ? C5 PGE A 113 >LEU~A 52 43.78 24.78 -2.21 45.53 23.63 -2.83 44.66 24.20 -2.52 3 0 10.17 -999 ? C3 BTRS A 112 >PRO~A 53 42.17 29.04 -3.53 43.89 28.65 -2.16 43.03 28.85 -2.85 3 0 11.22 -999 ? O2 PGE A 113 >GLU~A 54 43.60 31.29 3.58 42.30 31.10 5.18 42.95 31.19 4.38 2 0 -3.57 -999 ? O2 PGE A 113s >MET?A 55 47.03 28.00 2.07 46.12 26.04 4.76 46.58 27.02 3.41 2 0 -3.56 -999 ? O2 BTRS A 112s >LYS~A 56 48.99 28.98 -1.06 49.24 25.38 -5.20 49.11 27.18 -3.13 2 0 13.08 -999 ? C3 BTRS A 112 >GLY~A 57 49.03 32.62 0.08 49.13 32.03 0.59 49.08 32.33 0.34 1 0 9.78 -999 ? O2 PGE A 113 >ALA.A 58 50.08 31.75 3.63 49.07 31.03 4.56 49.58 31.39 4.10 2 0 6.24 -999 ? O2 PGE A 113 >VAL^A 59 53.36 30.37 5.09 55.22 31.41 4.71 54.29 30.89 4.90 3 0 10.71 -999 ? C2 BTRS A 112 >LEU^A 60 51.93 26.15 6.65 49.85 26.49 5.94 50.89 26.32 6.29 3 0 5.35 -999 ? C2 BTRS A 112 >THR^A 61 55.75 25.64 9.26 57.45 26.93 9.70 56.60 26.29 9.48 2 0 10.63 -999 ? N BTRS A 112 >ASN^A 62 55.30 20.95 10.20 53.60 20.79 8.93 54.45 20.87 9.57 2 0 6.29 -999 ? N BTRS A 112 >ASP^A 63 57.46 22.73 15.18 59.18 22.73 16.40 58.32 22.73 15.79 2 0 13.40 -999 ? N BTRS A 112 >ASN^A 64 56.48 19.22 18.30 56.63 17.51 19.63 56.55 18.36 18.97 2 0 14.47 -999 ? N BTRS A 112 >VAL^A 65 55.78 15.59 15.62 56.11 14.73 13.61 55.94 15.16 14.61 3 0 12.33 -999 ? N BTRS A 112 >ILE^A 66 53.46 13.09 19.08 53.26 13.79 19.71 53.36 13.44 19.39 3 0 14.70 -999 ? N BTRS A 112 >GLN^A 67 54.71 8.31 13.95 55.78 8.43 12.08 55.24 8.37 13.02 2 0 16.52 -999 ? O3 ATRS A 112 >ASN.A 68 52.17 5.74 18.65 50.09 6.26 18.62 51.13 6.00 18.63 2 0 18.81 -999 ? O1 ATRS A 112 >ASN.A 70 47.97 3.65 15.15 45.88 3.81 14.96 46.93 3.73 15.05 2 0 18.90 -999 ? O3 ATRS A 112 >GLN^A 71 47.26 6.94 16.37 46.44 7.05 18.33 46.85 6.99 17.35 2 0 17.41 -999 ? O1 ATRS A 112 >ILE^A 72 51.29 11.55 12.73 52.44 11.71 11.87 51.87 11.63 12.30 3 0 12.03 -999 ? O3 ATRS A 112 >VAL^A 73 50.30 14.57 15.82 49.46 14.82 17.85 49.88 14.69 16.84 3 0 10.92 -999 ? O1 ATRS A 112 >ILE^A 74 51.89 17.71 12.61 52.76 17.61 11.35 52.32 17.66 11.98 3 0 7.33 -999 ? N BTRS A 112 >GLU^A 75 52.21 20.44 18.25 53.13 20.98 20.09 52.67 20.71 19.17 2 0 11.95 -999 ? O1 ATRS A 112 >GLY^A 76 52.90 24.05 13.64 52.25 24.24 14.09 52.58 24.15 13.87 1 0 6.76 -999 ? N BTRS A 112 >CYH^A 78 50.41 29.32 9.78 48.34 29.54 7.88 49.38 29.43 8.83 2 0 4.38 -999 ? O2 PGE A 113 >ARG^A 79 54.67 35.00 8.13 55.59 37.29 6.30 55.13 36.15 7.21 2 0 13.24 -999 ? C2 PGE A 113 >TYR^A 80 46.72 34.44 8.36 45.20 35.02 10.63 45.96 34.73 9.49 3 0 3.77 -999 ? C2 PGE A 113 >PHE.A 81 49.78 39.51 5.69 52.59 39.73 5.80 51.19 39.62 5.75 3 0 11.17 -999 ? C2 PGE A 113 >ASP.A 82 44.82 40.34 10.52 45.92 42.10 10.97 45.37 41.22 10.75 2 0 10.10 -999 ? O1 PGE A 113 >ALA.A 83 42.06 42.71 8.21 40.80 42.93 9.09 41.43 42.82 8.65 2 0 10.19 -999 ? O1 PGE A 113 >GLU.A 84 44.29 46.99 10.92 42.24 46.50 11.09 43.26 46.75 11.01 2 0 13.71 -999 ? O1 PGE A 113 >GLY.A 85 46.63 43.66 6.20 46.73 43.78 7.02 46.68 43.72 6.61 1 0 12.32 -999 ? O1 PGE A 113 >GLU^A 87 52.94 38.59 10.27 54.96 38.85 10.83 53.95 38.72 10.55 2 0 13.41 -999 ? C2 PGE A 113 >ALA^A 88 49.03 37.17 12.05 47.51 37.26 11.86 48.27 37.22 11.95 2 0 7.30 -999 ? O1 PGE A 113 >PHE^A 89 52.29 33.85 13.13 54.55 34.81 11.78 53.42 34.33 12.46 3 0 10.67 -999 ? C2 PGE A 113 >VAL^A 90 47.43 30.59 13.70 45.57 29.92 12.82 46.50 30.26 13.26 3 0 4.72 -999 ? C3 PGE A 113 >SER^A 91 48.98 27.91 15.92 50.28 29.16 17.58 49.63 28.53 16.75 2 0 9.34 -999 ? O2 ATRS A 112 >TYR^A 92 48.61 24.14 12.51 50.77 23.99 10.72 49.69 24.06 11.61 3 0 -3.16 -999 ? N BTRS A 112s >CYH^A 93 47.79 20.92 16.25 47.94 18.98 18.23 47.87 19.95 17.24 2 0 8.45 -999 ? O1 ATRS A 112 >ASP^A 94 47.12 18.45 12.22 46.73 20.40 11.39 46.92 19.42 11.81 2 0 -2.84 -999 ? O1 ATRS A 112s >ILE^A 95 45.16 14.55 16.12 45.02 14.30 17.55 45.09 14.42 16.83 3 0 10.18 -999 ? O1 ATRS A 112 >TYR^A 96 47.20 13.23 10.45 47.72 15.71 9.33 47.46 14.47 9.89 3 0 7.21 -999 ? O3 ATRS A 112 >PHE^A 98 47.59 7.13 9.33 48.95 9.46 8.89 48.27 8.30 9.11 3 0 13.14 -999 ? O3 ATRS A 112 >GLU^A 99 41.72 1.43 8.35 39.67 1.46 7.86 40.69 1.45 8.10 2 0 20.84 -999 ? O3 ATRS A 112 >ASN.A 100 46.40 0.05 6.57 45.75 -1.63 7.69 46.08 -0.79 7.13 2 0 22.85 -999 ? O3 ATRS A 112 >ASP.A 101 48.71 3.11 3.40 47.58 1.90 2.15 48.15 2.50 2.78 2 0 20.10 -999 ? O3 ATRS A 112 >THR^A 102 44.73 5.70 4.43 43.15 4.31 3.96 43.94 5.00 4.19 2 0 17.57 -999 ? O3 ATRS A 112 >ILE^A 103 43.98 10.23 6.17 44.55 11.55 6.29 44.27 10.89 6.23 3 0 10.61 -999 ? O3 ATRS A 112 >LYS^A 104 40.79 7.77 8.51 37.59 3.66 9.94 39.19 5.71 9.22 2 0 19.74 -999 ? O3 ATRS A 112 >THR^A 105 40.39 10.93 10.59 39.66 10.01 12.42 40.02 10.47 11.51 2 0 13.90 -999 ? O3 ATRS A 112 >ILE^A 106 42.38 15.19 9.69 43.27 15.65 8.68 42.83 15.42 9.18 3 0 6.95 -999 ? O3 ATRS A 112 >THR^A 107 41.32 16.49 14.02 40.40 15.65 15.80 40.86 16.07 14.91 2 0 9.92 -999 ? O1 ATRS A 112 >SER^A 108 42.64 20.08 13.93 43.19 19.90 11.54 42.91 19.99 12.74 2 0 3.73 -999 ? O1 ATRS A 112 >TYR^A 109 42.84 20.93 18.82 41.52 18.71 20.02 42.18 19.82 19.42 3 0 9.35 -999 ? O1 ATRS A 112 >CYH^A 110 43.63 26.00 15.38 43.23 24.74 12.89 43.43 25.37 14.13 2 0 -3.31 -999 ? O1 BTRS A 112s >ILE^A 111 44.74 28.74 18.96 44.58 28.49 20.38 44.66 28.62 19.67 3 0 10.17 -999 ? O3 PGE A 113