REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 07-FEB-07 2OTA COMPND UPF0352 PROTEIN CPS_2611; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: COLWELLIA PSYCHRERYTHRAEA; SOURCE 3 ORGANISM_TAXID: 167879; SOURCE 4 STRAIN: 34H; SOURCE 5 ATCC: BAA-681; SOURCE 6 GENE: CPS_2611; SOURCE 7 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 8 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 9 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)+MAGIC; SOURCE 10 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 11 EXPRESSION_SYSTEM_PLASMID: PET21 AUTHOR S.M.VOROBIEV,W.ZHOU,M.SU,J.SEETHARAMAN,H.WANG,H.JANJUA,K.CUNNINGHAM, AUTHOR 2 L-C.MA,R.XIAO,C.LIU,T.B.ACTON,G.T.MONTELIONE,L.TONG,J.F.HUNT, AUTHOR 3 NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG) HET MSE A 35 8 HET MSE B 35 8 >TYR.A 7 19.97 27.07 -0.21 20.89 24.65 0.87 20.43 25.86 0.33 3 0 1000.00 -999 ? >SER~A 8 16.96 31.13 -3.48 14.73 30.67 -2.61 15.85 30.90 -3.05 2 0 1000.00 -999 ? >ARG~A 11 14.52 27.65 1.18 14.93 24.76 2.15 14.72 26.20 1.67 2 0 1000.00 -999 ? >VAL~A 12 17.47 32.48 2.72 19.57 32.28 2.14 18.52 32.38 2.43 3 0 1000.00 -999 ? >GLU~A 13 15.90 38.47 2.79 17.78 39.12 3.52 16.84 38.80 3.15 2 0 1000.00 -999 ? >ILE~A 15 15.54 31.20 6.74 15.77 29.80 6.59 15.66 30.50 6.67 3 0 1000.00 -999 ? >ILE~A 16 18.10 35.86 7.62 19.39 36.28 7.21 18.75 36.07 7.41 3 0 1000.00 -999 ? >GLN~A 17 12.48 39.17 8.64 13.62 40.70 9.60 13.05 39.93 9.12 2 0 1000.00 -999 ? >ASP~A 18 11.89 33.32 10.37 10.25 33.46 9.02 11.07 33.39 9.69 2 0 1000.00 -999 ? >LEU~A 19 16.78 33.67 12.55 17.54 31.66 12.30 17.16 32.66 12.42 3 0 1000.00 -999 ? >LEU~A 20 16.16 38.81 12.96 18.17 39.22 12.28 17.17 39.01 12.62 3 0 1000.00 -999 ? >ASP~A 21 10.86 37.54 13.77 10.63 38.69 12.02 10.74 38.12 12.90 2 0 1000.00 -999 ? >VAL~A 22 12.31 35.47 17.45 12.71 33.32 17.61 12.51 34.40 17.53 3 0 1000.00 -999 ? >LEU~A 23 16.33 37.92 18.49 17.89 36.43 18.53 17.11 37.17 18.51 3 0 1000.00 -999 ? >VAL~A 24 13.07 40.96 18.50 12.78 42.32 16.81 12.92 41.64 17.65 3 0 1000.00 -999 ? >LYS~A 25 9.90 39.40 19.88 5.30 35.19 19.12 7.60 37.30 19.50 2 0 1000.00 -999 ? >GLU~A 26 12.96 36.68 24.52 11.22 35.92 25.45 12.09 36.30 24.98 2 0 1000.00 -999 ? >GLU.A 27 11.08 43.11 23.79 9.83 44.14 25.16 10.46 43.63 24.47 2 0 1000.00 -999 ? >VAL.A 28 16.80 40.50 23.99 16.88 38.68 22.81 16.84 39.59 23.40 3 0 1000.00 -999 ? >THR~A 29 20.06 42.41 24.34 20.54 42.45 26.46 20.30 42.43 25.40 2 0 1000.00 -999 ? >PRO~A 30 22.90 44.00 21.42 22.44 42.03 22.34 22.67 43.01 21.88 3 0 1000.00 -999 ? >ASP~A 31 25.23 40.08 25.87 27.10 41.07 25.92 26.17 40.57 25.89 2 0 1000.00 -999 ? >LEU~A 32 20.53 37.78 25.76 19.04 36.39 26.49 19.78 37.09 26.13 3 0 1000.00 -999 ? >ALA~A 33 21.02 37.19 21.38 20.83 38.40 20.47 20.92 37.80 20.92 2 0 1000.00 -999 ? >LEU~A 34 25.80 36.81 20.81 26.42 38.21 19.30 26.11 37.51 20.06 3 0 1000.00 -999 ? >MET?A 35 24.53 33.41 23.50 23.75 32.99 27.74 24.14 33.20 25.62 2 0 1000.00 -999 ? >CYH~A 36 21.38 31.94 21.95 19.40 32.89 23.67 20.39 32.42 22.81 2 0 1000.00 -999 ? >LEU~A 37 22.88 33.27 17.52 21.41 34.40 16.40 22.14 33.84 16.96 3 0 1000.00 -999 ? >GLY~A 38 25.92 30.46 19.30 25.15 30.17 19.44 25.53 30.32 19.37 1 0 1000.00 -999 ? >ASN~A 39 23.26 27.75 22.27 24.28 27.57 24.12 23.77 27.66 23.19 2 0 1000.00 -999 ? >ALA~A 40 21.92 27.19 18.04 21.08 28.32 17.44 21.50 27.75 17.74 2 0 1000.00 -999 ? >VAL~A 41 24.94 26.97 15.74 26.17 28.51 14.81 25.56 27.74 15.27 3 0 1000.00 -999 ? >THR~A 42 26.66 24.39 17.97 27.78 24.48 19.85 27.22 24.44 18.91 2 0 1000.00 -999 ? >ASN~A 43 22.06 22.89 18.22 20.56 21.37 18.26 21.31 22.13 18.24 2 0 1000.00 -999 ? >ILE~A 44 23.31 23.68 13.13 22.14 23.29 12.42 22.73 23.49 12.77 3 0 1000.00 -999 ? >ILE~A 45 28.40 22.51 14.17 29.65 23.22 13.93 29.03 22.87 14.05 3 0 1000.00 -999 ? >ALA~A 46 26.65 18.56 15.80 26.08 18.54 17.22 26.37 18.55 16.51 2 0 1000.00 -999 ? >GLN~A 47 22.05 18.50 13.52 20.58 19.96 13.02 21.32 19.23 13.27 2 0 1000.00 -999 ? >VAL~A 48 27.19 17.17 10.45 27.95 19.18 10.02 27.57 18.17 10.23 3 0 1000.00 -999 ? >PRO~A 49 28.98 13.84 8.28 29.20 14.78 10.28 29.09 14.31 9.28 3 0 1000.00 -999 ? >GLU~A 50 33.62 13.62 15.26 34.14 11.89 16.34 33.88 12.76 15.80 2 0 1000.00 -999 ? >SER~A 51 34.97 14.34 10.50 34.07 13.20 8.57 34.52 13.77 9.54 2 0 1000.00 -999 ? >LYS~A 52 33.74 17.66 9.09 30.37 15.83 4.01 32.06 16.74 6.55 2 0 1000.00 -999 ? >ARG~A 53 30.83 17.54 14.76 29.26 15.11 15.76 30.05 16.33 15.26 2 0 1000.00 -999 ? >VAL~A 54 36.31 21.35 12.78 38.23 20.94 13.74 37.27 21.15 13.26 3 0 1000.00 -999 ? >ALA~A 55 36.49 22.42 9.15 36.58 21.47 7.97 36.53 21.94 8.56 2 0 1000.00 -999 ? >VAL~A 56 32.88 23.56 9.09 30.90 22.65 8.83 31.89 23.11 8.96 3 0 1000.00 -999 ? >VAL~A 57 33.22 25.58 12.29 34.11 25.36 14.29 33.66 25.47 13.29 3 0 1000.00 -999 ? >ASP~A 58 37.74 26.38 10.59 38.78 25.58 12.26 38.26 25.98 11.43 2 0 1000.00 -999 ? >ASN~A 59 34.18 27.29 6.64 35.56 25.89 5.86 34.87 26.59 6.25 2 0 1000.00 -999 ? >PHE~A 60 29.81 29.43 11.13 27.66 30.87 12.20 28.74 30.15 11.66 3 0 1000.00 -999 ? >THR~A 61 33.93 31.59 11.90 34.84 30.26 13.35 34.38 30.93 12.63 2 0 1000.00 -999 ? >LYS~A 62 36.29 32.85 9.21 40.95 31.57 5.07 38.62 32.21 7.14 2 0 1000.00 -999 ? >ALA~A 63 33.40 34.03 7.04 32.35 33.11 6.41 32.88 33.57 6.72 2 0 1000.00 -999 ? >LEU~A 64 31.44 34.69 11.41 30.42 35.54 13.12 30.93 35.11 12.26 3 0 1000.00 -999 ? >VAL~A 68 31.89 41.57 10.69 31.73 40.98 12.79 31.81 41.28 11.74 3 0 1000.00 -999 ? >LEU~A 69 36.37 42.97 9.36 37.93 42.24 10.66 37.15 42.61 10.01 3 0 1000.00 -999 ? >GLU~A 70 32.07 43.91 4.39 31.62 42.32 3.08 31.85 43.12 3.73 2 0 1000.00 -999 ? >HIS~A 71 28.60 44.29 7.21 27.87 43.39 5.46 28.24 43.84 6.33 3 0 1000.00 -999 ? >HIS.A 73 28.16 51.60 9.08 26.56 50.26 8.79 27.36 50.93 8.93 3 0 1000.00 -999 ? >ARG~B 11 14.58 35.61 29.05 14.71 38.51 28.06 14.64 37.06 28.55 2 0 1000.00 -999 ? >VAL~B 12 17.97 31.20 27.03 20.10 31.41 27.38 19.04 31.30 27.20 3 0 1000.00 -999 ? >GLU~B 13 17.94 26.09 28.29 19.48 25.40 27.02 18.71 25.75 27.65 2 0 1000.00 -999 ? >ILE~B 15 15.86 32.43 23.33 16.11 33.81 23.43 15.99 33.12 23.38 3 0 1000.00 -999 ? >ILE~B 16 18.53 27.89 22.45 19.81 27.48 22.86 19.17 27.68 22.65 3 0 1000.00 -999 ? >GLN~B 17 13.14 24.34 21.44 14.43 23.05 20.34 13.79 23.70 20.89 2 0 1000.00 -999 ? >ASP~B 18 12.16 30.22 19.82 10.45 30.01 21.05 11.31 30.11 20.44 2 0 1000.00 -999 ? >LEU~B 19 16.94 30.05 17.36 17.51 32.09 17.77 17.22 31.07 17.57 3 0 1000.00 -999 ? >LEU~B 20 16.53 24.85 16.97 18.60 24.53 17.50 17.56 24.69 17.24 3 0 1000.00 -999 ? >ASP~B 21 11.12 25.94 16.45 11.02 24.79 18.24 11.07 25.37 17.35 2 0 1000.00 -999 ? >VAL~B 22 12.42 28.05 12.70 12.67 30.22 12.57 12.54 29.14 12.64 3 0 1000.00 -999 ? >LEU~B 23 16.51 25.79 11.43 17.98 27.38 11.43 17.24 26.59 11.43 3 0 1000.00 -999 ? >VAL~B 24 13.27 22.70 11.48 12.94 21.27 13.10 13.11 21.98 12.29 3 0 1000.00 -999 ? >LYS~B 25 10.06 24.30 10.25 5.71 27.24 9.59 7.89 25.77 9.92 2 0 1000.00 -999 ? >GLU~B 26 11.95 27.97 7.06 10.22 28.12 5.85 11.08 28.04 6.46 2 0 1000.00 -999 ? >GLU.B 27 10.86 20.86 6.10 9.69 20.00 4.57 10.28 20.43 5.34 2 0 1000.00 -999 ? >VAL.B 28 16.60 23.34 6.35 16.69 25.13 7.56 16.64 24.23 6.96 3 0 1000.00 -999 ? >THR~B 29 19.92 21.79 5.39 20.24 21.55 3.27 20.08 21.67 4.33 2 0 1000.00 -999 ? >PRO~B 30 22.77 19.77 8.08 22.33 21.83 7.37 22.55 20.80 7.73 3 0 1000.00 -999 ? >ASP~B 31 25.21 23.91 3.98 23.68 23.55 2.56 24.45 23.73 3.27 2 0 1000.00 -999 ? >LEU~B 32 20.25 26.00 4.16 18.69 27.40 3.58 19.47 26.70 3.87 3 0 1000.00 -999 ? >ALA~B 33 21.06 26.57 8.50 20.97 25.33 9.39 21.02 25.95 8.95 2 0 1000.00 -999 ? >LEU~B 34 25.89 26.97 8.86 26.69 25.50 10.21 26.29 26.24 9.53 3 0 1000.00 -999 ? >MET?B 35 24.32 30.33 6.30 23.56 30.83 2.13 23.94 30.58 4.22 2 0 1000.00 -999 ? >CYH~B 36 21.20 31.81 7.90 19.12 30.90 6.20 20.16 31.35 7.05 2 0 1000.00 -999 ? >LEU~B 37 22.95 30.39 12.22 21.38 29.28 13.22 22.17 29.83 12.72 3 0 1000.00 -999 ? >GLY~B 38 25.68 33.39 10.40 24.90 33.64 10.31 25.29 33.51 10.35 1 0 1000.00 -999 ? >ASN~B 39 22.83 36.10 7.57 23.83 36.26 5.69 23.33 36.18 6.63 2 0 1000.00 -999 ? >ALA~B 40 21.64 36.53 11.87 20.88 35.37 12.52 21.26 35.95 12.19 2 0 1000.00 -999 ? >VAL~B 41 24.77 36.81 14.00 26.05 35.29 14.90 25.41 36.05 14.45 3 0 1000.00 -999 ? >THR~B 42 26.44 39.41 11.77 26.54 38.66 9.74 26.49 39.04 10.76 2 0 1000.00 -999 ? >ASN~B 43 21.85 40.88 11.68 20.30 42.31 12.03 21.07 41.59 11.86 2 0 1000.00 -999 ? >ILE~B 44 23.32 40.05 16.72 22.04 40.25 17.45 22.68 40.15 17.08 3 0 1000.00 -999 ? >ILE~B 45 28.25 41.36 15.45 29.49 40.59 15.65 28.87 40.98 15.55 3 0 1000.00 -999 ? >ALA~B 46 26.31 45.24 13.85 25.64 45.20 12.49 25.97 45.22 13.17 2 0 1000.00 -999 ? >GLN.B 47 21.91 45.26 16.18 20.27 44.01 16.73 21.09 44.64 16.45 2 0 1000.00 -999 ? >VAL.B 48 27.11 46.62 19.20 27.82 44.58 19.47 27.47 45.60 19.34 3 0 1000.00 -999 ? >PRO~B 49 28.92 49.84 21.48 29.19 48.94 19.49 29.05 49.39 20.49 3 0 1000.00 -999 ? >GLU~B 50 31.73 50.11 14.36 32.24 51.47 12.82 31.99 50.79 13.59 2 0 1000.00 -999 ? >SER~B 51 35.03 49.37 19.31 34.02 50.51 21.17 34.53 49.94 20.24 2 0 1000.00 -999 ? >LYS~B 52 33.67 46.08 20.68 32.14 48.93 25.16 32.90 47.51 22.92 2 0 1000.00 -999 ? >ARG~B 53 30.66 46.08 14.98 28.80 48.24 13.86 29.73 47.16 14.42 2 0 1000.00 -999 ? >VAL~B 54 36.22 42.34 16.94 38.14 42.74 15.99 37.18 42.54 16.47 3 0 1000.00 -999 ? >ALA~B 55 36.36 41.24 20.59 36.41 42.17 21.80 36.38 41.71 21.20 2 0 1000.00 -999 ? >VAL~B 56 32.74 40.07 20.41 30.80 41.07 20.60 31.77 40.57 20.50 3 0 1000.00 -999 ? >VAL~B 57 33.19 38.10 17.19 34.02 38.34 15.19 33.61 38.22 16.19 3 0 1000.00 -999 ? >ASP~B 58 37.69 37.37 18.97 38.81 38.20 17.37 38.25 37.79 18.17 2 0 1000.00 -999 ? >ASN~B 59 34.30 36.32 22.89 35.72 37.71 23.69 35.01 37.01 23.29 2 0 1000.00 -999 ? >PHE~B 60 29.81 34.29 18.36 27.73 32.96 17.05 28.77 33.63 17.70 3 0 1000.00 -999 ? >THR~B 61 33.97 32.17 17.49 35.03 33.57 16.24 34.50 32.87 16.87 2 0 1000.00 -999 ? >LYS~B 62 36.24 30.84 20.24 41.17 31.21 22.95 38.71 31.02 21.59 2 0 1000.00 -999 ? >ALA~B 63 33.16 29.63 22.12 31.95 30.51 22.48 32.56 30.07 22.30 2 0 1000.00 -999 ? >LEU~B 64 31.52 28.29 17.73 29.60 29.09 17.16 30.56 28.69 17.44 3 0 1000.00 -999 ? >LYS~B 65 35.34 26.17 18.47 39.09 29.59 14.68 37.21 27.88 16.57 2 0 1000.00 -999 ? >GLN~B 66 36.84 26.81 23.38 38.68 25.74 23.36 37.76 26.27 23.37 2 0 1000.00 -999 ? >VAL~B 68 32.52 21.67 18.85 32.60 22.10 16.70 32.56 21.88 17.77 3 0 1000.00 -999 ? >LEU~B 69 36.92 20.39 20.28 38.28 21.39 21.62 37.60 20.89 20.95 3 0 1000.00 -999 ?