REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 29-APR-09 3H92 COMPND UNCHARACTERIZED ATP-BINDING PROTEIN MJECL15; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: RESIDUES 274-365; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: METHANOCALDOCOCCUS JANNASCHII; SOURCE 3 ORGANISM_COMMON: METHANOCOCCUS JANNASCHII; SOURCE 4 ORGANISM_TAXID: 2190; SOURCE 5 STRAIN: DSM 2661; SOURCE 6 GENE: GI:1522655, MJECL15; SOURCE 7 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21; SOURCE 8 EXPRESSION_SYSTEM_TAXID: 511693; SOURCE 9 EXPRESSION_SYSTEM_STRAIN: BL21; SOURCE 10 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 11 EXPRESSION_SYSTEM_PLASMID: PMCSG7 AUTHOR R.ZHANG,C.HATZOS,S.MOY,A.JOACHIMIAK,MIDWEST CENTER FOR STRUCTURAL AUTHOR 2 GENOMICS (MCSG) HET MSE A 91 8 HET PG6 A 93 10 SITE 1 AC1 5 GLU A 22 TYR A 47 PRO A 72 TYR A 82 >GLU~A 7 17.93 20.53 53.24 19.61 19.70 52.18 18.77 20.12 52.71 2 0 33.08 -999 ? C6 PG6 A 93 >THR~A 8 18.66 25.40 49.68 20.04 27.00 49.00 19.35 26.20 49.34 2 0 36.24 -999 ? C6 PG6 A 93 >LYS~A 9 20.52 22.41 48.19 23.29 24.89 50.88 21.91 23.65 49.53 2 0 35.36 -999 ? C6 PG6 A 93 >LEU~A 10 17.20 19.15 49.72 17.52 17.04 49.01 17.36 18.10 49.37 3 0 30.54 -999 ? C6 PG6 A 93 >GLU~A 11 12.66 23.17 48.68 11.03 23.46 47.21 11.85 23.32 47.94 2 0 35.17 -999 ? C6 PG6 A 93 >GLU~A 12 19.11 24.52 43.53 19.67 26.21 44.75 19.39 25.36 44.14 2 0 33.34 -999 ? C6 PG6 A 93 >GLU~A 13 17.80 17.36 42.62 19.35 17.95 41.26 18.58 17.65 41.94 2 0 24.79 -999 ? C6 PG6 A 93 >ARG~A 14 11.80 18.27 47.44 9.02 18.90 48.66 10.41 18.59 48.05 2 0 33.90 -999 ? C6 PG6 A 93 >ASN~A 15 12.89 23.93 42.52 11.25 25.22 43.04 12.07 24.57 42.78 2 0 34.35 -999 ? C6 PG6 A 93 >HIS~A 16 16.11 19.30 38.38 16.76 18.16 36.73 16.43 18.73 37.56 3 0 24.67 -999 ? C6 PG6 A 93 >LEU~A 17 12.10 16.61 41.17 11.20 14.61 40.94 11.65 15.61 41.05 3 0 26.14 -999 ? C6 PG6 A 93 >GLU~A 18 8.61 20.65 42.88 8.65 22.29 44.25 8.63 21.47 43.57 2 0 33.92 -999 ? C6 PG6 A 93 >GLU~A 19 10.79 23.61 35.77 12.21 25.11 35.31 11.50 24.36 35.54 2 0 31.19 -999 ? C6 PG6 A 93 >LEU~A 20 11.54 17.54 35.68 11.90 16.05 34.12 11.72 16.80 34.90 3 0 24.51 -999 ? C6 PG6 A 93 >LEU~A 21 6.92 16.74 37.94 7.19 14.74 38.77 7.06 15.74 38.35 3 0 27.88 -999 ? C6 PG6 A 93 >GLU~A 22 4.82 22.79 34.86 5.41 24.87 34.99 5.11 23.83 34.93 2 0 -34.48 -999 ? C6 PG6 A 93s >LYS~A 23 6.98 20.15 31.97 8.85 24.08 28.59 7.91 22.12 30.28 2 0 31.12 -999 ? C6 PG6 A 93 >VAL~A 24 6.02 16.50 31.66 7.04 14.65 32.21 6.53 15.58 31.94 3 0 26.44 -999 ? C6 PG6 A 93 >GLU~A 25 0.23 17.49 33.84 -0.68 17.33 35.75 -0.23 17.41 34.79 2 0 33.78 -999 ? C6 PG6 A 93 >GLU~A 26 1.62 21.84 32.43 -0.47 21.56 32.57 0.58 21.70 32.50 2 0 35.64 -999 ? C6 PG6 A 93 >ASP~A 27 5.30 21.29 28.20 4.63 23.10 29.21 4.97 22.20 28.71 2 0 32.89 -999 ? C6 PG6 A 93 >TYR.A 28 7.97 17.17 27.66 10.05 18.95 28.08 9.01 18.06 27.87 3 0 26.20 -999 ? C6 PG6 A 93 >GLU.A 29 0.80 15.77 23.28 0.04 15.59 21.20 0.42 15.68 22.24 2 0 32.00 -999 ? C6 PG6 A 93 >GLY.A 30 5.58 12.51 24.24 5.30 12.72 24.94 5.44 12.61 24.59 1 0 25.25 -999 ? C6 PG6 A 93 >ILE.A 31 7.06 12.28 28.73 8.41 11.49 28.61 7.73 11.89 28.67 3 0 22.87 -999 ? C6 PG6 A 93 >ASN~A 32 2.22 9.09 30.11 0.65 9.04 31.68 1.43 9.06 30.90 2 0 27.84 -999 ? C6 PG6 A 93 >TYR~A 33 2.26 13.61 35.15 2.35 14.45 37.80 2.31 14.03 36.47 3 0 29.77 -999 ? C6 PG6 A 93 >ASP~A 34 0.03 8.81 35.04 -1.33 9.89 36.38 -0.65 9.35 35.71 2 0 30.91 -999 ? C6 PG6 A 93 >GLU~A 35 3.39 5.63 31.63 3.94 5.43 29.55 3.67 5.53 30.59 2 0 23.28 -999 ? C6 PG6 A 93 >VAL~A 36 6.95 9.09 34.82 7.93 10.90 34.09 7.44 9.99 34.46 3 0 22.96 -999 ? C6 PG6 A 93 >LEU~A 37 4.08 9.41 38.96 3.43 11.20 40.07 3.75 10.31 39.51 3 0 27.86 -999 ? C6 PG6 A 93 >GLU~A 38 2.80 4.46 38.26 2.74 4.50 40.46 2.77 4.48 39.36 2 0 27.15 -999 ? C6 PG6 A 93 >ALA~A 39 8.81 5.06 37.19 9.37 5.72 35.96 9.09 5.39 36.57 2 0 19.95 -999 ? C6 PG6 A 93 >LEU~A 40 10.07 8.93 39.85 11.35 10.26 38.64 10.71 9.59 39.25 3 0 22.19 -999 ? C6 PG6 A 93 >LYS~A 41 8.29 5.84 42.61 2.42 5.44 43.44 5.35 5.64 43.03 2 0 29.14 -999 ? C6 PG6 A 93 >LEU~A 42 10.63 2.02 40.76 9.39 0.66 39.62 10.01 1.34 40.19 3 0 20.38 -999 ? C6 PG6 A 93 >PHE~A 43 14.40 5.10 41.49 15.44 4.27 39.11 14.92 4.69 40.30 3 0 17.83 -999 ? C6 PG6 A 93 >LYS~A 44 11.56 5.01 46.90 6.56 7.67 48.68 9.06 6.34 47.79 2 0 29.97 -999 ? C6 PG6 A 93 >ASP~A 45 10.82 0.34 47.12 8.85 0.73 47.75 9.83 0.53 47.44 2 0 26.31 -999 ? C6 PG6 A 93 >ASN~A 46 14.78 -0.55 44.81 13.98 -2.27 45.68 14.38 -1.41 45.24 2 0 21.41 -999 ? C6 PG6 A 93 >TYR.A 47 20.10 4.07 45.75 22.10 5.87 45.16 21.10 4.97 45.46 3 0 -19.42 -999 ? C6 PG6 A 93s >GLU.A 48 21.56 0.39 41.12 23.61 -0.14 41.41 22.58 0.13 41.26 2 0 13.77 -999 ? C6 PG6 A 93 >LEU^A 49 16.04 -0.84 40.15 14.68 0.62 39.52 15.36 -0.11 39.84 3 0 16.04 -999 ? C6 PG6 A 93 >PRO^A 50 17.03 -4.98 37.95 17.56 -2.86 37.36 17.29 -3.92 37.66 3 0 13.18 -999 ? C6 PG6 A 93 >LYS.A 51 17.12 -0.70 33.71 20.33 -0.49 28.26 18.72 -0.60 30.99 2 0 5.83 -999 ? C6 PG6 A 93 >SER~A 52 14.43 -3.01 32.28 15.13 -5.20 33.04 14.78 -4.11 32.66 2 0 12.43 -999 ? C6 PG6 A 93 >LYS~A 53 12.30 -2.05 35.27 11.32 -6.02 38.91 11.81 -4.04 37.09 2 0 18.76 -999 ? C6 PG6 A 93 >ILE~A 54 12.13 2.39 33.90 12.34 3.41 34.67 12.23 2.90 34.28 3 0 15.88 -999 ? C6 PG6 A 93 >LYS~A 55 10.18 1.84 29.88 5.33 0.25 26.35 7.75 1.05 28.11 2 0 20.82 -999 ? C6 PG6 A 93 >ARG~A 56 13.63 2.69 23.69 11.20 2.85 21.74 12.42 2.77 22.71 2 0 16.72 -999 ? C6 PG6 A 93 >LYS~A 57 11.39 6.15 26.39 6.51 6.52 22.04 8.95 6.33 24.21 2 0 22.01 -999 ? C6 PG6 A 93 >ILE~A 58 10.04 6.51 31.02 8.81 6.86 31.92 9.43 6.69 31.47 3 0 18.97 -999 ? C6 PG6 A 93 >ARG~A 59 16.86 3.22 29.98 15.59 0.52 29.06 16.22 1.87 29.52 2 0 10.73 -999 ? C6 PG6 A 93 >ILE~A 60 15.59 7.68 26.73 15.99 7.52 25.29 15.79 7.60 26.01 3 0 14.06 -999 ? C6 PG6 A 93 >PHE~A 61 12.05 12.40 29.66 11.14 14.86 30.60 11.60 13.63 30.13 3 0 21.27 -999 ? C6 PG6 A 93 >LEU~A 62 14.40 9.80 33.79 12.45 9.98 34.68 13.43 9.89 34.24 3 0 18.32 -999 ? C6 PG6 A 93 >ILE~A 63 19.17 9.12 31.18 19.99 8.01 30.85 19.58 8.57 31.01 3 0 12.64 -999 ? C6 PG6 A 93 >LYS~A 64 18.61 13.20 29.59 13.96 16.13 25.97 16.28 14.67 27.78 2 0 21.75 -999 ? C6 PG6 A 93 >GLU~A 65 14.82 15.47 31.13 14.92 17.48 30.40 14.87 16.47 30.77 2 0 22.44 -999 ? C6 PG6 A 93 >ASN.A 66 20.49 15.64 35.09 21.81 15.91 33.44 21.15 15.77 34.27 2 0 19.09 -999 ? C6 PG6 A 93 >ILE.A 67 15.78 12.58 37.05 15.17 13.44 38.10 15.48 13.01 37.57 3 0 20.61 -999 ? C6 PG6 A 93 >LEU^A 68 17.69 8.11 36.14 15.93 7.25 37.17 16.81 7.68 36.65 3 0 15.86 -999 ? C6 PG6 A 93 >PHE^A 69 24.55 7.30 36.70 27.07 6.35 35.83 25.81 6.83 36.26 3 0 12.05 -999 ? C6 PG6 A 93 >LEU^A 70 22.27 4.46 32.44 21.97 2.59 31.30 22.12 3.52 31.87 3 0 7.72 -999 ? C6 PG6 A 93 >ASN^A 71 25.75 1.57 36.22 27.63 0.63 36.43 26.69 1.10 36.33 2 0 8.99 -999 ? C6 PG6 A 93 >PRO.A 72 27.08 2.59 30.95 26.10 0.90 32.08 26.59 1.74 31.51 3 0 -5.13 -999 ? C6 PG6 A 93s >GLN.A 73 30.76 -1.26 33.00 30.61 0.88 32.64 30.69 -0.19 32.82 2 0 7.15 -999 ? C8 PG6 A 93 >LYS.A 74 25.86 -3.27 35.63 26.09 -1.20 41.37 25.97 -2.23 38.50 2 0 13.13 -999 ? C8 PG6 A 93 >GLY.A 75 22.78 -2.44 33.52 22.93 -2.22 34.28 22.86 -2.33 33.90 1 0 6.44 -999 ? C6 PG6 A 93 >THR^A 76 21.20 -0.49 36.41 22.40 -1.27 38.06 21.80 -0.88 37.24 2 0 10.74 -999 ? C6 PG6 A 93 >LEU^A 77 18.15 3.14 36.44 17.58 3.36 34.34 17.86 3.25 35.39 3 0 12.15 -999 ? C6 PG6 A 93 >LYS^A 78 19.72 4.97 40.14 25.74 4.14 41.89 22.73 4.55 41.02 2 0 15.19 -999 ? C6 PG6 A 93 >PRO^A 79 17.86 7.69 42.95 19.10 7.86 41.05 18.48 7.77 42.00 3 0 18.63 -999 ? C6 PG6 A 93 >GLN.A 80 22.54 12.75 38.16 23.28 11.61 36.53 22.91 12.18 37.34 2 0 16.22 -999 ? C6 PG6 A 93 >SER~A 81 22.54 12.01 43.25 21.65 14.21 43.56 22.09 13.11 43.41 2 0 22.84 -999 ? C6 PG6 A 93 >TYR~A 82 23.31 10.45 48.11 25.20 8.38 48.30 24.25 9.41 48.20 3 0 -23.26 -999 ? C6 PG6 A 93s >LEU~A 83 20.43 16.18 45.92 20.88 18.25 46.38 20.66 17.22 46.15 3 0 26.92 -999 ? C6 PG6 A 93 >VAL~A 84 17.66 13.70 43.68 17.89 13.41 41.49 17.78 13.55 42.59 3 0 22.80 -999 ? C6 PG6 A 93 >TRP~A 85 16.27 7.61 46.06 17.86 6.27 49.33 17.07 6.94 47.69 3 0 -23.39 -999 ? C6 PG6 A 93s >ASN~A 86 16.62 13.26 49.54 17.94 11.93 50.61 17.28 12.60 50.07 2 0 27.73 -999 ? C6 PG6 A 93 >ALA~A 87 13.57 14.78 46.42 14.03 15.63 45.29 13.80 15.21 45.85 2 0 27.39 -999 ? C6 PG6 A 93 >ILE~A 88 12.58 10.45 44.42 12.92 9.51 43.40 12.75 9.98 43.91 3 0 23.89 -999 ? C6 PG6 A 93 >LYS~A 89 11.24 10.23 48.46 15.92 8.06 51.61 13.58 9.14 50.03 2 0 27.56 -999 ? C6 PG6 A 93 >ARG~A 90 11.24 16.82 51.15 14.26 15.85 51.00 12.75 16.33 51.08 2 0 31.36 -999 ? C6 PG6 A 93 >MET?A 91 7.73 14.30 46.59 9.67 17.15 44.36 8.70 15.72 45.47 2 0 29.96 -999 ? C6 PG6 A 93 >LEU~A 92 7.30 10.12 44.43 8.07 11.08 42.69 7.69 10.60 43.56 3 0 27.10 -999 ? C6 PG6 A 93