📄 4at1.ent
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REMARK 1 REFERENCE 20 4AT1 164REMARK 1 AUTH S.G.WARREN,B.F.P.EDWARDS,D.R.EVANS,D.C.WILEY, 4AT1 165REMARK 1 AUTH 2 W.N.LIPSCOMB 4AT1 166REMARK 1 TITL ASPARTATE TRANSCARBAMOYLASE FROM ESCHERICHIA $COLI. 4AT1 167REMARK 1 TITL 2 ELECTRON DENSITY AT 5.5 ANGSTROMS RESOLUTION 4AT1 168REMARK 1 REF PROC.NAT.ACAD.SCI.USA V. 70 1117 1973 4AT1 169REMARK 1 REFN ASTM PNASA6 US ISSN 0027-8424 040 4AT1 170REMARK 2 4AT1 171REMARK 2 RESOLUTION. 2.6 ANGSTROMS. 4AT1 172REMARK 3 4AT1 173REMARK 3 REFINEMENT. BY THE MOLECULAR REPLACEMENT PROCEDURE OF A. 4AT1 174REMARK 3 BRUENGER, J. KURIYAN, AND M. KARPLUS (PROGRAM *XPLOR*). 4AT1 175REMARK 3 THE R VALUE IS 0.160 FOR DATA IN THE RESOLUTION RANGE 10.0 4AT1 176REMARK 3 TO 2.6 ANGSTROMS. THE RMS DEVIATION FROM IDEALITY OF THE 4AT1 177REMARK 3 BOND LENGTHS IS 0.016 ANGSTROMS. THE RMS DEVIATION FROM 4AT1 178REMARK 3 IDEALITY OF THE BOND ANGLES IS 3.5 DEGREES. 4AT1 179REMARK 4 4AT1 180REMARK 4 THE ENZYME IS A DODECAMER COMPOSED OF SIX CATALYTIC CHAINS 4AT1 181REMARK 4 AND SIX REGULATORY CHAINS THAT CAN BE DISSOCIATED INTO 4AT1 182REMARK 4 SUBUNITS. THE ASYMMETRIC UNIT OF THE CRYSTAL CONSISTS OF 4AT1 183REMARK 4 ONE THIRD OF THE MOLECULE - TWO CATALYTIC AND TWO 4AT1 184REMARK 4 REGULATORY CHAINS. CHAINS *A* AND *C* (REFERRED TO AS C1 4AT1 185REMARK 4 AND C6 RESPECTIVELY IN REFERENCE 1 ABOVE) ARE THE CATALYTIC 4AT1 186REMARK 4 CHAINS CONSISTING OF 310 RESIDUES EACH. CHAINS *B* AND *D* 4AT1 187REMARK 4 (REFERRED TO AS R1 AND R6 RESPECTIVELY IN REFERENCE 1 4AT1 188REMARK 4 ABOVE) ARE THE REGULATORY CHAINS CONSISTING OF 153 RESIDUES 4AT1 189REMARK 4 EACH. 4AT1 190REMARK 5 4AT1 191REMARK 5 THE NON-CRYSTALLOGRAPHIC TWO-FOLD AXIS, WHICH IS SPECIFIED 4AT1 192REMARK 5 ON THE *MTRIX* RECORDS BELOW, RELATES THE *A* AND *B* 4AT1 193REMARK 5 CHAINS TO THE *C* AND *D* CHAINS. 4AT1 194REMARK 6 4AT1 195REMARK 6 DUE TO WEAK ELECTRON DENSITY FOR RESIDUES 1 THROUGH 7 OF 4AT1 196REMARK 6 CHAINS *B* AND *D*, THESE RESIDUES HAVE BEEN OMITTED FROM 4AT1 197REMARK 6 THE MODEL. 4AT1 198REMARK 7 4AT1 199REMARK 7 THE UNUSUAL B VALUES IN THIS COORDINATE SET ARE DISCUSSED 4AT1 200REMARK 7 IN THE PAPER CITED ON THE *JRNL* RECORDS ABOVE. BASED ON 4AT1 201REMARK 7 PRELIMINARY REFINEMENT OF ANOTHER T STATE STRUCTURE AGAINST 4AT1 202REMARK 7 HIGHER RESOLUTION DATA, A MORE TYPICAL B VALUE DISTRIBUTION 4AT1 203REMARK 7 WAS FOUND. THESE NEW RESULTS WILL BE PUBLISHED WHEN THE 4AT1 204REMARK 7 REFINEMENT AND ANALYSIS IS COMPLETE. 4AT1 205REMARK 8 4AT1 206REMARK 8 IN PROTEIN DATA BANK ENTRIES 3AT1, 4AT1, AND 6AT1 THE OMEGA 4AT1 207REMARK 8 ANGLE BETWEEN RESIDUES LEU B 48 AND PRO B 49 DIFFERS 4AT1 208REMARK 8 SUBSTANTIALLY FROM THE TRANS CONFIGURATION. THIS IS A 4AT1 209REMARK 8 RESULT OF THE WEAK ELECTRON DENSITY IN THIS REGION AND 4AT1 210REMARK 8 ERRORS IN THE MODEL AND PROBABLY DOES NOT REFLECT A TRUE 4AT1 211REMARK 8 DEVIATION OF THE STRUCTURES FROM THE TRANS CONFORMATION. 4AT1 212REMARK 8 PRELIMINARY RESULTS BASED ON REFINEMENT OF A SIMILAR 4AT1 213REMARK 8 STRUCTURE AGAINST SUBSTANTIALLY HIGHER RESOLUTION DATA AND 4AT1 214REMARK 8 ADDITIONAL MODEL BUILDING AND REFINEMENT BRINGS THE 4AT1 215REMARK 8 LEU B 48 - PRO B 49 PEPTIDE BOND ESSENTIALLY TO THE TRANS 4AT1 216REMARK 8 CONFORMATION. 4AT1 217REMARK 9 4AT1 218REMARK 9 SITES *ATB* AND *ATD* AS SPECIFIED ON THE *SITE* RECORDS 4AT1 219REMARK 9 BELOW ARE THE *ATP* BINDING SITES OF CHAINS *B* AND *D* 4AT1 220REMARK 9 RESPECTIVELY. SITES *ZNB* AND *ZND* ARE THE *ZN* BINDING 4AT1 221REMARK 9 SITES OF CHAINS *B* AND *D* RESPECTIVELY. 4AT1 222REMARK 10 4AT1 223REMARK 10 THE FOLLOWING IS A TABLE WHICH LISTS THE CORRESPONDENCE 4AT1 224REMARK 10 BETWEEN THE ATOM NAMING SCHEME USED BY THE PROTEIN DATA 4AT1 225REMARK 10 BANK AND THAT USED BY THE DEPOSITORS FOR THE ATOMS IN 4AT1 226REMARK 10 ADENOSINE FIVE-PRIME-TRIPHOSPHATE (ATP) 4AT1 227REMARK 10 4AT1 228REMARK 10 SCHEME USED BY- 4AT1 229REMARK 10 DEPOSITOR PDB 4AT1 230REMARK 10 4AT1 231REMARK 10 P3 PG 4AT1 232REMARK 10 O3 O1G 4AT1 233REMARK 10 O33 O2G 4AT1 234REMARK 10 333 O3G 4AT1 235REMARK 10 O7 PRIME O3B 4AT1 236REMARK 10 P2 PB 4AT1 237REMARK 10 O2 O1B 4AT1 238REMARK 10 O22 O2B 4AT1 239REMARK 10 O6 PRIME O3A 4AT1 240REMARK 10 P1 PA 4AT1 241REMARK 10 O1 O1A 4AT1 242REMARK 10 O11 O2A 4AT1 243REMARK 10 O5 PRIME O5* 4AT1 244REMARK 10 C5 PRIME C5* 4AT1 245REMARK 10 C4 PRIME C4* 4AT1 246REMARK 10 C3 PRIME C3* 4AT1 247REMARK 10 O3 PRIME O3* 4AT1 248REMARK 10 O1 PRIME O4* 4AT1 249REMARK 10 C2 PRIME C2* 4AT1 250REMARK 10 O2 PRIME O2* 4AT1 251REMARK 10 C1 PRIME C1* 4AT1 252REMARK 10 N9 N9 4AT1 253REMARK 10 C8 C8 4AT1 254REMARK 10 N7 N7 4AT1 255REMARK 10 C6 C6 4AT1 256REMARK 10 C5 C5 4AT1 257REMARK 10 C4 C4 4AT1 258REMARK 10 N3 N3 4AT1 259REMARK 10 C2 C2 4AT1 260REMARK 10 N1 N1 4AT1 261REMARK 10 N10 N6 4AT1 262REMARK 11 4AT1 263REMARK 11 COORDINATES FOR THE UNLIGANDED FORMS OF THIS ENZYME ARE 4AT1 264REMARK 11 AVAILABLE AS SEPARATE ENTRIES IN THE PROTEIN DATA BANK. 4AT1 265SEQRES 1 A 310 ALA ASN PRO LEU TYR GLN LYS HIS ILE ILE SER ILE ASN 4AT1 266SEQRES 2 A 310 ASP LEU SER ARG ASP ASP LEU ASN LEU VAL LEU ALA THR 4AT1 267SEQRES 3 A 310 ALA ALA LYS LEU LYS ALA ASN PRO GLN PRO GLU LEU LEU 4AT1 268SEQRES 4 A 310 LYS HIS LYS VAL ILE ALA SER CYS PHE PHE GLU ALA SER 4AT1 269SEQRES 5 A 310 THR ARG THR ARG LEU SER PHE GLN THR SER MET HIS ARG 4AT1 270SEQRES 6 A 310 LEU GLY ALA SER VAL VAL GLY PHE SER ASP SER ALA ASN 4AT1 271SEQRES 7 A 310 THR SER LEU GLY LYS LYS GLY GLU THR LEU ALA ASP THR 4AT1 272SEQRES 8 A 310 ILE SER VAL ILE SER THR TYR VAL ASP ALA ILE VAL MET 4AT1 273SEQRES 9 A 310 ARG HIS PRO GLN GLU GLY ALA ALA ARG LEU ALA THR GLU 4AT1 274SEQRES 10 A 310 PHE SER GLY ASN VAL PRO VAL LEU ASN ALA GLY ASP GLY 4AT1 275SEQRES 11 A 310 SER ASN GLN HIS PRO THR GLN THR LEU LEU ASP LEU PHE 4AT1 276SEQRES 12 A 310 THR ILE GLN GLN THR GLU GLY ARG LEU ASP ASN LEU HIS 4AT1 277SEQRES 13 A 310 VAL ALA MET VAL GLY ASP LEU LYS TYR GLY ARG THR VAL 4AT1 278SEQRES 14 A 310 HIS SER LEU THR GLN ALA LEU ALA LYS PHE ASP GLY ASN 4AT1 279SEQRES 15 A 310 ARG PHE TYR PHE ILE ALA PRO ASP ALA LEU ALA MET PRO 4AT1 280SEQRES 16 A 310 GLU TYR ILE LEU ASP MET LEU ASP GLU LYS GLY ILE ALA 4AT1 281SEQRES 17 A 310 TRP SER LEU HIS SER SER ILE GLU GLU VAL MET ALA GLU 4AT1 282SEQRES 18 A 310 VAL ASP ILE LEU TYR MET THR ARG VAL GLN LYS GLU ARG 4AT1 283SEQRES 19 A 310 LEU ASP PRO SER GLU TYR ALA ASN VAL LYS ALA GLN PHE 4AT1 284SEQRES 20 A 310 VAL LEU ARG ALA SER ASP LEU HIS ASN ALA LYS ALA ASN 4AT1 285SEQRES 21 A 310 MET LYS VAL LEU HIS PRO LEU PRO ARG VAL ASP GLU ILE 4AT1 286SEQRES 22 A 310 ALA THR ASP VAL ASP LYS THR PRO HIS ALA TRP TYR PHE 4AT1 287SEQRES 23 A 310 GLN GLN ALA GLY ASN GLY ILE PHE ALA ARG GLN ALA LEU 4AT1 288SEQRES 24 A 310 LEU ALA LEU VAL LEU ASN ARG ASP LEU VAL LEU 4AT1 289SEQRES 1 B 153 MET THR HIS ASP ASN LYS LEU GLY VAL GLU ALA ILE LYS 4AT1 290SEQRES 2 B 153 ARG GLY THR VAL ILE ASP HIS ILE PRO ALA GLN ILE GLY 4AT1 291SEQRES 3 B 153 PHE LYS LEU LEU SER LEU PHE LYS LEU THR GLU THR ASP 4AT1 292SEQRES 4 B 153 GLN ARG ILE THR ILE GLY LEU ASN LEU PRO SER GLY GLU 4AT1 293SEQRES 5 B 153 MET GLY ARG LYS ASP LEU ILE LYS ILE GLU ASN THR PHE 4AT1 294SEQRES 6 B 153 LEU SER GLU ASP GLN VAL ASP GLN LEU ALA LEU TYR ALA 4AT1 295SEQRES 7 B 153 PRO GLN ALA THR VAL ASN ARG ILE ASP ASN TYR GLU VAL 4AT1 296SEQRES 8 B 153 VAL GLY LYS SER ARG PRO SER LEU PRO GLU ARG ILE ASN 4AT1 297SEQRES 9 B 153 ASN VAL LEU VAL CYS PRO ASN SER ASN CYS ILE SER HIS 4AT1 298SEQRES 10 B 153 ALA GLU PRO VAL SER SER SER PHE ALA VAL ARG LYS ARG 4AT1 299SEQRES 11 B 153 ALA ASN ASP ILE ALA LEU LYS CYS LYS TYR CYS GLU LYS 4AT1 300SEQRES 12 B 153 GLU PHE SER HIS ASN VAL VAL LEU ALA ASN 4AT1 301SEQRES 1 C 310 ALA ASN PRO LEU TYR GLN LYS HIS ILE ILE SER ILE ASN 4AT1 302SEQRES 2 C 310 ASP LEU SER ARG ASP ASP LEU ASN LEU VAL LEU ALA THR 4AT1 303SEQRES 3 C 310 ALA ALA LYS LEU LYS ALA ASN PRO GLN PRO GLU LEU LEU 4AT1 304SEQRES 4 C 310 LYS HIS LYS VAL ILE ALA SER CYS PHE PHE GLU ALA SER 4AT1 305SEQRES 5 C 310 THR ARG THR ARG LEU SER PHE GLN THR SER MET HIS ARG 4AT1 306SEQRES 6 C 310 LEU GLY ALA SER VAL VAL GLY PHE SER ASP SER ALA ASN 4AT1 307SEQRES 7 C 310 THR SER LEU GLY LYS LYS GLY GLU THR LEU ALA ASP THR 4AT1 308SEQRES 8 C 310 ILE SER VAL ILE SER THR TYR VAL ASP ALA ILE VAL MET 4AT1 309SEQRES 9 C 310 ARG HIS PRO GLN GLU GLY ALA ALA ARG LEU ALA THR GLU 4AT1 310SEQRES 10 C 310 PHE SER GLY ASN VAL PRO VAL LEU ASN ALA GLY ASP GLY 4AT1 311SEQRES 11 C 310 SER ASN GLN HIS PRO THR GLN THR LEU LEU ASP LEU PHE 4AT1 312SEQRES 12 C 310 THR ILE GLN GLN THR GLU GLY ARG LEU ASP ASN LEU HIS 4AT1 313SEQRES 13 C 310 VAL ALA MET VAL GLY ASP LEU LYS TYR GLY ARG THR VAL 4AT1 314SEQRES 14 C 310 HIS SER LEU THR GLN ALA LEU ALA LYS PHE ASP GLY ASN 4AT1 315SEQRES 15 C 310 ARG PHE TYR PHE ILE ALA PRO ASP ALA LEU ALA MET PRO 4AT1 316SEQRES 16 C 310 GLU TYR ILE LEU ASP MET LEU ASP GLU LYS GLY ILE ALA 4AT1 317SEQRES 17 C 310 TRP SER LEU HIS SER SER ILE GLU GLU VAL MET ALA GLU 4AT1 318SEQRES 18 C 310 VAL ASP ILE LEU TYR MET THR ARG VAL GLN LYS GLU ARG 4AT1 319SEQRES 19 C 310 LEU ASP PRO SER GLU TYR ALA ASN VAL LYS ALA GLN PHE 4AT1 320SEQRES 20 C 310 VAL LEU ARG ALA SER ASP LEU HIS ASN ALA LYS ALA ASN 4AT1 321SEQRES 21 C 310 MET LYS VAL LEU HIS PRO LEU PRO ARG VAL ASP GLU ILE 4AT1 322SEQRES 22 C 310 ALA THR ASP VAL ASP LYS THR PRO HIS ALA TRP TYR PHE 4AT1 323SEQRES 23 C 310 GLN GLN ALA GLY ASN GLY ILE PHE ALA ARG GLN ALA LEU 4AT1 324SEQRES 24 C 310 LEU ALA LEU VAL LEU ASN ARG ASP LEU VAL LEU 4AT1 325⌨️ 快捷键说明
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