REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 18-APR-06 2DLB COMPND YOPT; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; SOURCE 3 ORGANISM_TAXID: 1423; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 6 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)+MAGIC; SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PE21 AUTHOR A.P.KUZIN,Y.CHEN,J.SEETHARAMAN,C.-K.HO,K.CUNNINGHAM, AUTHOR 2 H.JANJUA,K.CONOVER,L.-C.MA,R.XIAO,T.B.ACTON,G.T.MONTELIONE, AUTHOR 3 J.F.HUNT,L.TONG,NORTHEAST STRUCTURAL GENOMICS CONSORTIUM AUTHOR 4 (NESG) HET MSE A2060 8 HET MSE B4060 8 >ALA.A2002 -1.30 40.14 9.57 -1.19 40.26 11.07 -1.24 40.20 10.32 2 0 1000.00 -999 ? >GLY^A2003 0.55 36.93 9.04 0.42 37.27 9.78 0.48 37.10 9.41 1 0 1000.00 -999 ? >TYR^A2004 -1.64 35.02 12.68 -2.75 37.37 13.69 -2.19 36.20 13.19 3 0 1000.00 -999 ? >LEU^A2005 3.81 30.83 12.19 5.31 29.29 12.61 4.56 30.06 12.40 3 0 1000.00 -999 ? >ASN^A2006 -0.98 27.61 13.09 -2.24 29.33 13.17 -1.61 28.47 13.13 2 0 1000.00 -999 ? >ASN^A2007 3.12 24.61 15.81 4.73 25.86 15.20 3.92 25.23 15.51 2 0 1000.00 -999 ? >ILE^A2008 -1.45 21.75 13.63 -1.84 22.31 12.96 -1.65 22.03 13.29 3 0 1000.00 -999 ? >ALA^A2009 -0.14 18.40 16.55 -0.21 18.23 18.05 -0.18 18.32 17.30 2 0 1000.00 -999 ? >LEU^A2010 -1.25 15.41 12.96 -1.69 16.95 11.52 -1.47 16.18 12.24 3 0 1000.00 -999 ? >ASN^A2011 -2.67 12.18 17.57 -1.85 13.69 18.78 -2.26 12.93 18.18 2 0 1000.00 -999 ? >LEU^A2012 -1.43 9.64 12.31 -1.47 11.37 11.01 -1.45 10.50 11.66 3 0 1000.00 -999 ? >GLU^A2013 -3.44 3.77 15.10 -2.12 3.81 16.78 -2.78 3.79 15.94 2 0 1000.00 -999 ? >ILE^A2014 -0.19 4.21 10.06 1.01 4.74 9.84 0.41 4.47 9.95 3 0 1000.00 -999 ? >VAL^A2015 -1.64 0.05 9.92 -3.40 -1.12 9.09 -2.52 -0.53 9.51 3 0 1000.00 -999 ? >LEU^A2016 2.83 -1.37 8.98 4.33 -0.29 7.92 3.58 -0.83 8.45 3 0 1000.00 -999 ? >LYS^A2017 1.41 -5.59 7.84 -4.51 -6.56 6.05 -1.55 -6.07 6.95 2 0 1000.00 -999 ? >ASN^A2018 5.66 -7.06 7.88 5.91 -7.03 10.00 5.78 -7.04 8.94 2 0 1000.00 -999 ? >LYS^A2019 5.69 -11.38 7.56 3.45 -13.52 2.03 4.57 -12.45 4.80 2 0 1000.00 -999 ? >ALA.A2020 7.93 -12.58 10.34 8.07 -11.40 11.34 8.00 -11.99 10.84 2 0 1000.00 -999 ? >ASP.A2021 9.97 -16.38 12.56 11.25 -15.59 13.99 10.61 -15.98 13.27 2 0 1000.00 -999 ? >SER~A2022 7.56 -13.77 15.76 9.72 -12.91 16.42 8.64 -13.34 16.09 2 0 1000.00 -999 ? >PRO~A2023 5.14 -11.70 18.77 6.07 -11.24 16.76 5.61 -11.47 17.77 3 0 1000.00 -999 ? >GLU~A2024 9.80 -10.37 20.39 8.63 -12.02 20.90 9.21 -11.20 20.64 2 0 1000.00 -999 ? >VAL~A2025 10.77 -9.56 14.58 11.90 -11.01 13.47 11.33 -10.28 14.02 3 0 1000.00 -999 ? >SER~A2026 7.60 -7.94 13.16 5.26 -7.58 12.68 6.43 -7.76 12.92 2 0 1000.00 -999 ? >GLU~A2027 6.50 -5.25 17.49 6.07 -5.03 19.54 6.29 -5.14 18.52 2 0 1000.00 -999 ? >THR~A2028 11.84 -4.70 14.70 13.59 -5.82 15.27 12.72 -5.26 14.98 2 0 1000.00 -999 ? >LEU~A2029 10.22 -5.54 10.18 11.01 -7.35 9.14 10.61 -6.44 9.66 3 0 1000.00 -999 ? >VAL~A2030 8.28 -1.74 11.59 6.17 -1.73 12.12 7.22 -1.74 11.85 3 0 1000.00 -999 ? >THR~A2031 10.63 0.11 13.96 11.20 -0.12 16.02 10.91 0.00 14.99 2 0 1000.00 -999 ? >ARG~A2032 15.91 -1.86 9.25 18.29 -2.83 7.43 17.10 -2.35 8.34 2 0 1000.00 -999 ? >ILE~A2033 9.57 1.17 8.33 8.65 0.61 7.37 9.11 0.89 7.85 3 0 1000.00 -999 ? >CYH~A2034 9.56 4.38 11.35 7.04 3.39 12.06 8.30 3.89 11.71 2 0 1000.00 -999 ? >GLU~A2035 15.20 5.06 13.90 14.80 5.88 15.78 15.00 5.47 14.84 2 0 1000.00 -999 ? >ASN~A2036 14.17 5.16 7.91 15.93 4.05 8.18 15.05 4.61 8.05 2 0 1000.00 -999 ? >LEU.A2037 9.53 8.26 9.02 8.41 7.09 7.59 8.97 7.68 8.31 3 0 1000.00 -999 ? >LEU.A2038 12.88 10.39 13.04 12.40 9.24 14.79 12.64 9.81 13.91 3 0 1000.00 -999 ? >LEU.A2039 15.18 13.53 9.79 16.55 13.62 11.45 15.86 13.58 10.62 3 0 1000.00 -999 ? >SER.A2040 11.19 13.75 7.08 9.14 13.31 5.87 10.17 13.53 6.47 2 0 1000.00 -999 ? >LYS.A2041 10.57 17.38 6.12 15.27 19.02 8.53 12.92 18.20 7.32 2 0 1000.00 -999 ? >GLU^A2042 6.09 17.82 2.21 6.57 18.63 0.31 6.33 18.23 1.26 2 0 1000.00 -999 ? >VAL^A2043 4.06 14.88 5.00 2.80 14.70 6.81 3.43 14.79 5.91 3 0 1000.00 -999 ? >SER^A2044 1.18 14.45 2.58 1.73 13.00 0.62 1.45 13.72 1.60 2 0 1000.00 -999 ? >PHE^A2045 -2.68 14.03 5.45 -1.54 13.91 7.96 -2.11 13.97 6.70 3 0 1000.00 -999 ? >LEU^A2046 -4.33 10.12 -0.04 -5.17 9.33 -1.88 -4.75 9.73 -0.96 3 0 1000.00 -999 ? >LYS.A2047 -7.87 13.16 1.45 -6.77 19.06 0.58 -7.32 16.11 1.01 2 0 1000.00 -999 ? >ALA.A2048 -11.29 11.57 1.21 -12.46 11.82 2.14 -11.88 11.69 1.67 2 0 1000.00 -999 ? >ASP.A2049 -12.36 14.83 -2.23 -10.86 16.25 -1.86 -11.61 15.54 -2.05 2 0 1000.00 -999 ? >GLY.A2050 -8.79 12.00 -3.62 -8.77 12.71 -3.30 -8.78 12.36 -3.46 1 0 1000.00 -999 ? >SER.A2051 -6.81 15.21 -3.54 -7.80 16.92 -2.12 -7.30 16.06 -2.83 2 0 1000.00 -999 ? >VAL^A2052 -3.35 15.23 -1.96 -1.84 13.80 -2.46 -2.60 14.52 -2.21 3 0 1000.00 -999 ? >GLU^A2053 -2.88 19.97 1.81 -4.32 20.99 2.93 -3.60 20.48 2.37 2 0 1000.00 -999 ? >ASN^A2054 2.48 18.76 0.41 2.29 17.54 -1.28 2.39 18.15 -0.43 2 0 1000.00 -999 ? >PHE^A2055 0.24 19.71 5.76 -2.45 19.81 5.38 -1.11 19.76 5.57 3 0 1000.00 -999 ? >LYS^A2056 5.81 21.13 6.30 9.91 25.40 8.60 7.86 23.26 7.45 2 0 1000.00 -999 ? >LEU^A2057 6.84 17.10 8.59 6.33 15.37 9.74 6.58 16.24 9.17 3 0 1000.00 -999 ? >SER^A2058 8.70 19.88 11.91 7.53 22.03 12.14 8.12 20.96 12.02 2 0 1000.00 -999 ? >ASP^A2059 8.36 17.45 15.76 9.08 16.10 17.21 8.72 16.78 16.48 2 0 1000.00 -999 ? >MET?A2060 7.80 13.30 14.48 8.00 10.20 11.81 7.90 11.75 13.14 2 0 1000.00 -999 ? >GLU^A2061 8.40 12.21 19.10 7.31 13.99 19.07 7.85 13.10 19.09 2 0 1000.00 -999 ? >TYR^A2062 7.74 5.80 15.66 10.13 4.46 15.75 8.93 5.13 15.71 3 0 1000.00 -999 ? >GLU^A2063 3.46 4.85 20.67 2.75 5.05 22.63 3.10 4.95 21.65 2 0 1000.00 -999 ? >ILE^A2064 4.65 -0.53 17.92 5.12 -1.63 17.08 4.88 -1.08 17.50 3 0 1000.00 -999 ? >THR^A2065 0.39 0.36 19.71 -1.18 1.82 19.50 -0.40 1.09 19.61 2 0 1000.00 -999 ? >ASN^A2066 -1.97 -3.42 18.29 -3.41 -2.20 19.26 -2.69 -2.81 18.78 2 0 1000.00 -999 ? >THR^A2067 1.10 -6.23 17.11 3.25 -6.38 16.86 2.17 -6.31 16.99 2 0 1000.00 -999 ? >GLU^A2068 -2.97 -7.43 17.15 -4.83 -6.46 17.18 -3.90 -6.94 17.17 2 0 1000.00 -999 ? >GLU^A2069 -0.09 -14.84 14.17 0.56 -16.63 15.10 0.23 -15.73 14.63 2 0 1000.00 -999 ? >LEU.A2070 -2.47 -12.13 10.02 -2.73 -9.95 9.62 -2.60 -11.04 9.82 3 0 1000.00 -999 ? >PRO.A2071 -6.70 -14.53 10.21 -4.63 -15.32 10.66 -5.66 -14.93 10.44 3 0 1000.00 -999 ? >ALA.B4002 3.53 -15.68 10.35 4.88 -16.14 9.86 4.20 -15.91 10.10 2 0 1000.00 -999 ? >GLY^B4003 1.78 -12.52 9.03 1.74 -12.90 9.83 1.76 -12.71 9.43 1 0 1000.00 -999 ? >TYR^B4004 3.12 -10.72 13.14 3.92 -13.10 14.28 3.52 -11.91 13.71 3 0 1000.00 -999 ? >LEU^B4005 -2.11 -6.50 11.70 -3.61 -4.93 11.99 -2.86 -5.72 11.84 3 0 1000.00 -999 ? >ASN^B4006 2.40 -3.26 13.38 3.67 -4.91 13.74 3.04 -4.09 13.56 2 0 1000.00 -999 ? >ASN^B4007 -2.23 -0.40 15.28 -3.76 -1.51 14.39 -2.99 -0.96 14.84 2 0 1000.00 -999 ? >ILE^B4008 2.66 2.50 14.02 3.31 1.98 13.45 2.99 2.24 13.74 3 0 1000.00 -999 ? >ALA^B4009 0.83 5.85 16.59 0.62 6.05 18.10 0.72 5.95 17.34 2 0 1000.00 -999 ? >LEU^B4010 2.57 8.78 13.25 3.33 7.26 11.85 2.95 8.02 12.55 3 0 1000.00 -999 ? >ASN^B4011 3.03 12.02 18.05 1.88 10.48 18.95 2.46 11.25 18.50 2 0 1000.00 -999 ? >LEU^B4012 2.83 14.64 12.66 3.30 12.97 11.36 3.07 13.80 12.01 3 0 1000.00 -999 ? >GLU^B4013 4.33 20.52 15.86 2.68 20.46 17.25 3.51 20.49 16.56 2 0 1000.00 -999 ? >ILE^B4014 2.01 19.93 10.17 0.89 19.30 9.70 1.45 19.62 9.94 3 0 1000.00 -999 ? >VAL^B4015 3.26 24.13 10.25 5.19 25.21 10.30 4.23 24.67 10.28 3 0 1000.00 -999 ? >LEU^B4016 -0.92 25.83 8.68 -1.86 24.37 7.45 -1.39 25.10 8.06 3 0 1000.00 -999 ? >LYS^B4017 1.00 29.91 7.73 7.23 31.29 7.46 4.12 30.60 7.59 2 0 1000.00 -999 ? >ASN^B4018 -3.17 31.47 7.04 -3.76 31.48 9.09 -3.47 31.48 8.06 2 0 1000.00 -999 ? >LYS^B4019 -3.01 35.78 6.72 -0.19 38.64 1.80 -1.60 37.21 4.26 2 0 1000.00 -999 ? >ALA.B4020 -5.85 36.97 9.02 -6.07 35.80 9.96 -5.96 36.39 9.49 2 0 1000.00 -999 ? >ASP.B4021 -8.54 40.46 10.87 -9.20 40.99 8.95 -8.87 40.73 9.91 2 0 1000.00 -999 ? >SER~B4022 -6.57 38.13 14.31 -8.83 37.23 14.59 -7.70 37.68 14.45 2 0 1000.00 -999 ? >PRO~B4023 -4.89 36.04 17.75 -5.35 35.58 15.61 -5.12 35.81 16.68 3 0 1000.00 -999 ? >GLU~B4024 -9.85 34.73 18.32 -8.73 36.35 19.11 -9.29 35.54 18.72 2 0 1000.00 -999 ? >VAL~B4025 -9.43 33.96 12.49 -10.35 35.38 11.13 -9.89 34.67 11.81 3 0 1000.00 -999 ? >SER~B4026 -6.06 32.31 11.79 -3.66 31.97 11.81 -4.86 32.14 11.80 2 0 1000.00 -999 ? >GLU~B4027 -5.93 29.62 16.20 -5.91 29.35 18.30 -5.92 29.49 17.25 2 0 1000.00 -999 ? >THR~B4028 -10.45 29.09 12.26 -12.28 30.17 12.43 -11.37 29.63 12.35 2 0 1000.00 -999 ? >LEU~B4029 -7.85 29.96 8.32 -8.59 31.65 7.19 -8.22 30.80 7.75 3 0 1000.00 -999 ? >VAL~B4030 -6.31 26.20 10.14 -4.46 26.21 11.25 -5.39 26.21 10.70 3 0 1000.00 -999 ? >THR~B4031 -9.16 24.26 11.74 -10.23 24.44 13.56 -9.69 24.35 12.65 2 0 1000.00 -999 ? >ARG~B4032 -13.33 26.07 6.02 -12.08 28.90 5.56 -12.70 27.48 5.79 2 0 1000.00 -999 ? >ILE~B4033 -6.46 23.38 6.66 -6.01 23.46 5.31 -6.24 23.42 5.98 3 0 1000.00 -999 ? >CYH~B4034 -7.36 20.09 9.45 -5.18 21.08 10.85 -6.27 20.58 10.15 2 0 1000.00 -999 ? >GLU~B4035 -12.48 20.44 11.16 -13.07 18.92 12.43 -12.77 19.68 11.80 2 0 1000.00 -999 ? >ASN~B4036 -10.56 19.32 4.84 -12.32 20.42 4.47 -11.44 19.87 4.66 2 0 1000.00 -999 ? >LEU.B4037 -6.51 16.18 7.39 -4.95 17.37 6.50 -5.73 16.78 6.94 3 0 1000.00 -999 ? >LEU.B4038 -11.01 14.10 9.98 -10.81 15.10 11.95 -10.91 14.60 10.96 3 0 1000.00 -999 ? >LEU.B4039 -12.47 11.16 6.27 -14.19 11.01 7.52 -13.33 11.09 6.89 3 0 1000.00 -999 ? >SER.B4040 -7.87 10.71 4.74 -6.65 12.81 4.75 -7.26 11.76 4.74 2 0 1000.00 -999 ? >LYS.B4041 -7.05 7.18 3.63 -10.93 7.41 4.86 -8.99 7.30 4.24 2 0 1000.00 -999 ? >GLU^B4042 -1.35 6.76 1.60 -1.22 6.45 -0.45 -1.28 6.61 0.58 2 0 1000.00 -999 ? >VAL^B4043 -0.39 9.44 4.80 0.34 9.63 6.89 -0.02 9.53 5.85 3 0 1000.00 -999 ? >SER^B4044 2.95 9.76 3.00 1.65 9.09 1.12 2.30 9.42 2.06 2 0 1000.00 -999 ? >PHE^B4045 6.02 10.32 6.44 4.22 10.40 8.55 5.12 10.36 7.49 3 0 1000.00 -999 ? >LEU^B4046 8.99 13.80 1.18 10.09 14.45 -0.58 9.54 14.12 0.30 3 0 1000.00 -999 ? >LYS.B4047 12.56 11.14 2.69 13.49 5.34 3.74 13.02 8.24 3.22 2 0 1000.00 -999 ? >ALA.B4048 15.81 13.08 2.19 16.91 13.30 3.21 16.36 13.19 2.70 2 0 1000.00 -999 ? >ASP.B4049 17.31 9.22 -0.27 15.78 7.82 0.08 16.55 8.52 -0.10 2 0 1000.00 -999 ? >GLY.B4050 13.75 11.60 -2.52 13.75 10.90 -2.09 13.75 11.25 -2.31 1 0 1000.00 -999 ? >SER.B4051 11.84 8.39 -1.85 12.85 7.16 -0.02 12.34 7.77 -0.93 2 0 1000.00 -999 ? >VAL^B4052 8.26 8.48 -0.53 6.71 9.86 -1.31 7.48 9.17 -0.92 3 0 1000.00 -999 ? >GLU^B4053 8.98 5.50 2.79 10.30 4.66 4.15 9.64 5.08 3.47 2 0 1000.00 -999 ? >ASN^B4054 2.41 5.21 0.66 3.20 6.47 -0.92 2.80 5.84 -0.13 2 0 1000.00 -999 ? >PHE^B4055 2.97 4.52 6.31 5.74 4.20 6.28 4.35 4.36 6.30 3 0 1000.00 -999 ? >LYS^B4056 -2.72 3.33 5.39 -7.20 -1.14 5.27 -4.96 1.09 5.33 2 0 1000.00 -999 ? >LEU^B4057 -4.61 7.03 7.53 -3.99 8.80 8.38 -4.30 7.91 7.96 3 0 1000.00 -999 ? >SER^B4058 -6.89 4.29 10.36 -5.75 2.19 10.72 -6.32 3.24 10.54 2 0 1000.00 -999 ? >ASP^B4059 -7.47 6.76 14.21 -8.66 7.98 15.44 -8.06 7.37 14.82 2 0 1000.00 -999 ? >MET?B4060 -6.59 10.83 13.16 -5.88 13.59 10.07 -6.23 12.21 11.61 2 0 1000.00 -999 ? >GLU^B4061 -8.10 12.11 17.64 -8.12 12.06 19.75 -8.11 12.09 18.69 2 0 1000.00 -999 ? >TYR^B4062 -6.68 18.44 14.14 -9.08 19.76 13.73 -7.88 19.10 13.94 3 0 1000.00 -999 ? >GLU^B4063 -4.56 20.90 20.38 -4.68 20.17 22.31 -4.62 20.53 21.34 2 0 1000.00 -999 ? >ILE^B4064 -4.17 24.81 17.00 -4.44 25.92 16.09 -4.31 25.36 16.55 3 0 1000.00 -999 ? >THR^B4065 -0.40 23.88 19.66 1.24 22.46 19.73 0.42 23.17 19.69 2 0 1000.00 -999 ? >ASN^B4066 1.80 27.71 19.71 3.32 26.91 18.43 2.56 27.31 19.07 2 0 1000.00 -999 ? >THR^B4067 -0.49 30.51 16.96 -2.55 30.73 16.31 -1.52 30.62 16.64 2 0 1000.00 -999 ? >GLU^B4068 3.51 31.82 18.07 5.29 30.75 18.40 4.40 31.28 18.24 2 0 1000.00 -999 ? >GLU^B4069 1.27 39.07 14.37 0.46 40.88 15.06 0.86 39.97 14.72 2 0 1000.00 -999 ? >LEU.B4070 4.52 36.40 10.80 4.82 34.29 10.45 4.67 35.34 10.62 3 0 1000.00 -999 ? >PRO.B4071 8.52 38.99 11.70 6.37 39.65 11.83 7.44 39.32 11.76 3 0 1000.00 -999 ?