REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 20-AUG-08 3E8V COMPND POSSIBLE TRANSGLUTAMINASE-FAMILY PROTEIN; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: RESIDUES 289-370; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES FRAGILIS NCTC 9343; SOURCE 3 ORGANISM_TAXID: 272559; SOURCE 4 STRAIN: ATCC 25285; SOURCE 5 GENE: BF1045; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: MODIFIED PET26 AUTHOR J.B.BONANNO,M.RUTTER,K.T.BAIN,S.HU,R.ROMERO,D.SMITH, AUTHOR 2 S.WASSERMAN,J.M.SAUDER,S.K.BURLEY,S.C.ALMO,NEW YORK SGX AUTHOR 3 RESEARCH CENTER FOR STRUCTURAL GENOMICS (NYSGXRC) HET UNL A 1 1 SITE 1 AC1 2 HIS A 331 GLU A 363 >ALA.A 289 24.20 29.79 -7.24 23.74 29.62 -5.77 23.97 29.70 -6.50 2 0 15.87 -999 ? BA UNL A 1 >LYS^A 290 25.26 33.42 -6.95 23.77 38.69 -7.16 24.52 36.06 -7.06 2 0 9.27 -999 ? BA UNL A 1 >GLY^A 291 27.89 34.60 -4.52 27.73 35.13 -5.16 27.81 34.86 -4.84 1 0 10.94 -999 ? BA UNL A 1 >SER^A 292 28.27 38.24 -3.59 26.33 39.19 -4.61 27.30 38.72 -4.10 2 0 6.92 -999 ? BA UNL A 1 >VAL^A 293 31.19 39.94 -1.86 33.19 39.00 -1.94 32.19 39.47 -1.90 3 0 8.40 -999 ? BA UNL A 1 >LEU^A 294 30.26 43.71 1.03 29.84 45.72 1.72 30.05 44.72 1.37 3 0 4.69 -999 ? BA UNL A 1 >VAL^A 295 34.85 44.64 0.53 36.56 44.09 -0.71 35.70 44.37 -0.09 3 0 10.12 -999 ? BA UNL A 1 >THR^A 296 35.40 47.33 3.13 33.70 47.01 4.44 34.55 47.17 3.79 2 0 9.65 -999 ? BA UNL A 1 >ASP.A 297 39.04 50.31 4.58 37.74 51.95 5.05 38.39 51.13 4.81 2 0 15.23 -999 ? BA UNL A 1 >ALA.A 298 38.95 48.69 8.64 40.31 48.71 9.35 39.63 48.70 8.99 2 0 18.00 -999 ? BA UNL A 1 >GLY.A 300 33.70 50.07 7.42 34.21 50.60 7.01 33.96 50.33 7.21 1 0 12.43 -999 ? BA UNL A 1 >GLN.A 301 34.86 54.35 3.19 33.10 55.50 3.56 33.98 54.93 3.37 2 0 13.96 -999 ? BA UNL A 1 >PRO.A 302 31.95 51.97 0.61 33.55 50.69 1.53 32.75 51.33 1.07 3 0 10.11 -999 ? BA UNL A 1 >VAL.A 303 36.71 49.71 -1.20 38.67 49.05 -0.58 37.69 49.38 -0.89 3 0 13.16 -999 ? BA UNL A 1 >ALA.A 304 36.15 50.52 -4.85 35.81 51.88 -5.40 35.98 51.20 -5.12 2 0 13.84 -999 ? BA UNL A 1 >ASP.A 305 38.86 49.58 -8.22 39.21 48.90 -10.20 39.04 49.24 -9.21 2 0 17.64 -999 ? BA UNL A 1 >ALA.A 306 39.58 45.95 -4.88 39.00 45.63 -3.53 39.29 45.79 -4.21 2 0 13.94 -999 ? BA UNL A 1 >THR^A 307 40.72 42.73 -6.59 42.40 42.26 -7.86 41.56 42.49 -7.23 2 0 18.68 -999 ? BA UNL A 1 >VAL^A 308 38.56 39.77 -5.66 36.67 40.11 -4.64 37.61 39.94 -5.15 3 0 13.79 -999 ? BA UNL A 1 >GLU^A 309 42.16 36.94 -6.98 44.17 36.85 -6.39 43.16 36.90 -6.69 2 0 21.02 -999 ? BA UNL A 1 >PHE^A 310 35.35 34.37 -6.45 33.71 36.61 -6.15 34.53 35.49 -6.30 3 0 14.04 -999 ? BA UNL A 1 >LYS^A 311 39.57 30.04 -5.33 44.76 33.05 -4.37 42.17 31.55 -4.85 2 0 22.66 -999 ? BA UNL A 1 >VAL^A 312 38.81 26.30 -5.15 37.34 25.35 -6.47 38.07 25.83 -5.81 3 0 23.04 -999 ? BA UNL A 1 >TYR^A 313 41.38 22.89 -0.63 43.26 21.54 0.94 42.32 22.22 0.15 3 0 27.70 -999 ? BA UNL A 1 >ASN^A 314 42.46 21.23 -6.36 40.50 21.50 -7.11 41.48 21.37 -6.73 2 0 28.15 -999 ? BA UNL A 1 >TYR.A 315 45.82 18.03 -6.49 44.79 16.13 -8.30 45.31 17.08 -7.39 3 0 34.41 -999 ? BA UNL A 1 >ALA.A 316 46.26 20.88 -0.89 47.52 20.21 -0.35 46.89 20.54 -0.62 2 0 32.58 -999 ? BA UNL A 1 >GLU^A 317 48.75 24.45 -2.68 50.41 24.49 -3.97 49.58 24.47 -3.32 2 0 32.01 -999 ? BA UNL A 1 >PHE^A 318 42.72 27.72 -1.46 41.42 26.82 0.80 42.07 27.27 -0.33 3 0 23.70 -999 ? BA UNL A 1 >TYR^A 319 44.51 25.58 -8.18 46.62 23.75 -7.95 45.57 24.66 -8.06 3 0 29.15 -999 ? BA UNL A 1 >THR^A 320 42.02 30.99 -8.62 42.68 33.01 -8.56 42.35 32.00 -8.59 2 0 22.20 -999 ? BA UNL A 1 >VAL^A 321 39.01 30.30 -10.76 37.67 28.64 -10.41 38.34 29.47 -10.58 3 0 22.24 -999 ? BA UNL A 1 >ALA^A 322 37.67 33.88 -11.27 36.20 33.92 -11.10 36.94 33.90 -11.19 2 0 18.54 -999 ? BA UNL A 1 >THR^A 323 39.00 37.38 -10.63 41.16 37.58 -10.68 40.08 37.48 -10.65 2 0 20.05 -999 ? BA UNL A 1 >LYS^A 324 36.57 40.30 -10.13 33.46 37.95 -13.40 35.02 39.12 -11.76 2 0 16.79 -999 ? BA UNL A 1 >HIS^A 325 39.06 44.31 -10.54 40.83 43.42 -11.24 39.94 43.87 -10.89 3 0 18.03 -999 ? BA UNL A 1 >THR.A 326 34.62 45.67 -6.76 35.53 45.80 -4.84 35.08 45.74 -5.80 2 0 11.17 -999 ? BA UNL A 1 >ASP.A 327 30.94 48.23 -8.62 29.54 47.64 -7.13 30.24 47.93 -7.88 2 0 8.83 -999 ? BA UNL A 1 >SER.A 329 29.95 50.28 -3.61 28.25 48.79 -4.64 29.10 49.53 -4.13 2 0 6.99 -999 ? BA UNL A 1 >GLY.A 330 32.65 47.70 -2.81 31.98 47.50 -3.23 32.32 47.60 -3.02 1 0 8.34 -999 ? BA UNL A 1 >HIS^A 331 28.39 45.16 -3.37 27.34 45.66 -1.63 27.87 45.41 -2.50 3 0 -3.57 -999 ? BA UNL A 1s >ALA^A 332 31.68 41.90 -6.52 33.19 41.59 -6.56 32.44 41.75 -6.54 2 0 10.41 -999 ? BA UNL A 1 >LEU^A 334 31.53 34.71 -8.61 32.84 33.36 -9.76 32.19 34.03 -9.18 3 0 15.28 -999 ? BA UNL A 1 >THR^A 335 27.83 32.78 -10.35 25.88 33.10 -11.19 26.85 32.94 -10.77 2 0 15.82 -999 ? BA UNL A 1 >ALA.A 336 29.31 29.31 -9.93 30.70 29.50 -9.29 30.01 29.40 -9.61 2 0 18.20 -999 ? BA UNL A 1 >GLY.A 337 28.67 25.67 -9.00 28.88 26.37 -8.55 28.78 26.02 -8.77 1 0 20.91 -999 ? BA UNL A 1 >GLY^A 339 30.51 24.56 -3.14 30.21 25.32 -3.05 30.36 24.94 -3.10 1 0 20.58 -999 ? BA UNL A 1 >ASP^A 340 33.69 25.58 0.28 32.29 25.09 1.82 32.99 25.33 1.05 2 0 20.42 -999 ? BA UNL A 1 >MET^A 341 35.41 28.90 -2.35 33.97 29.87 -6.19 34.69 29.38 -4.27 2 0 17.79 -999 ? BA UNL A 1 >LEU^A 342 39.56 30.48 -0.40 41.21 31.47 0.67 40.38 30.98 0.14 3 0 19.91 -999 ? BA UNL A 1 >VAL^A 343 37.51 34.56 -1.54 35.52 35.40 -1.91 36.51 34.98 -1.72 3 0 14.47 -999 ? BA UNL A 1 >TRP^A 344 43.97 37.51 -1.41 45.10 35.08 1.49 44.53 36.29 0.04 3 0 20.57 -999 ? BA UNL A 1 >ALA^A 345 40.23 40.41 -1.63 39.01 41.03 -0.96 39.62 40.72 -1.29 2 0 13.85 -999 ? BA UNL A 1 >SER^A 346 43.08 42.87 -2.12 44.47 41.77 -3.79 43.78 42.32 -2.96 2 0 19.44 -999 ? BA UNL A 1 >LYS^A 347 43.81 46.55 -2.77 41.58 50.68 -5.95 42.70 48.62 -4.36 2 0 18.23 -999 ? BA UNL A 1 >ASP.A 348 47.02 49.68 -2.53 45.86 50.61 -4.05 46.44 50.15 -3.29 2 0 21.63 -999 ? BA UNL A 1 >GLY.A 349 48.92 45.53 -0.59 48.22 45.84 -0.45 48.57 45.69 -0.52 1 0 23.38 -999 ? BA UNL A 1 >PHE^A 351 45.73 40.29 2.38 46.99 38.79 4.38 46.36 39.54 3.38 3 0 21.58 -999 ? BA UNL A 1 >GLY^A 352 41.43 40.05 3.56 41.52 39.87 2.72 41.48 39.96 3.14 1 0 16.79 -999 ? BA UNL A 1 >TYR^A 353 41.75 35.41 3.91 43.27 34.90 6.19 42.51 35.15 5.05 3 0 19.89 -999 ? BA UNL A 1 >SER^A 354 36.95 34.35 3.74 36.12 35.25 5.80 36.54 34.80 4.77 2 0 15.05 -999 ? BA UNL A 1 >LYS^A 355 35.08 31.24 2.81 32.73 27.11 6.03 33.90 29.17 4.41 2 0 19.56 -999 ? BA UNL A 1 >LEU^A 356 31.92 32.73 -0.35 30.12 33.69 -1.23 31.02 33.21 -0.79 3 0 12.37 -999 ? BA UNL A 1 >SER^A 357 29.78 28.55 0.47 30.12 27.51 2.58 29.95 28.03 1.52 2 0 17.57 -999 ? BA UNL A 1 >PHE^A 358 29.58 30.05 -4.61 31.07 32.30 -5.32 30.32 31.17 -4.97 3 0 14.81 -999 ? BA UNL A 1 >GLY.A 359 24.47 28.08 -2.56 24.85 28.40 -1.91 24.66 28.24 -2.23 1 0 16.45 -999 ? BA UNL A 1 >LYS.A 360 24.48 28.56 1.27 26.92 24.74 4.45 25.70 26.65 2.86 2 0 20.09 -999 ? BA UNL A 1 >ASP.A 361 27.56 32.21 2.02 28.41 31.23 3.71 27.98 31.72 2.86 2 0 13.87 -999 ? BA UNL A 1 >ASN.A 362 23.04 35.55 0.55 21.46 34.16 0.21 22.25 34.86 0.38 2 0 10.94 -999 ? BA UNL A 1 >GLU^A 363 27.20 40.22 0.38 26.24 42.07 0.16 26.72 41.14 0.27 2 0 -2.32 -999 ? BA UNL A 1s >LEU^A 364 31.27 36.78 1.89 32.98 35.86 2.70 32.13 36.32 2.30 3 0 10.57 -999 ? BA UNL A 1 >ILE^A 366 36.23 40.37 2.58 36.93 39.42 1.93 36.58 39.89 2.26 3 0 12.06 -999 ? BA UNL A 1 >THR^A 367 37.50 43.52 5.82 37.16 44.18 7.88 37.33 43.85 6.85 2 0 14.01 -999 ? BA UNL A 1 >LEU.A 368 41.02 45.46 3.09 40.90 44.96 1.02 40.96 45.21 2.05 3 0 15.55 -999 ? BA UNL A 1 >LYS.A 370 45.79 42.80 6.81 43.24 38.21 9.06 44.51 40.50 7.94 2 0 20.76 -999 ? BA UNL A 1