ID 1XAIA STANDARD; PRT; 354 AA. DT CONVERTED FROM PDB (SEQRES) 1XAI DE 3-dehydroquinate synthase OS Staphylococcus aureus CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.300 CC R-Factor 0.211 FT #SUB 32 32 ASP A 317 317 ASP B Protein S 1 FT #SUB 32 32 ASP A 318 318 LYS B Protein A 8 FT #SUB 58 58 ASN A 318 318 LYS B Protein S 2 FT #SUB 73 73 PHE A 76 76 TYR B Protein S 1 FT #SUB 73 73 PHE A 77 77 GLN B Protein S 13 FT #SUB 73 73 PHE A 80 80 LEU B Protein S 3 FT #SUB 73 73 PHE A 81 81 GLU B Protein S 4 FT #SUB 74 74 GLU A 77 77 GLN B Protein S 1 FT #SUB 76 76 TYR A 73 73 PHE B Protein S 2 FT #SUB 76 76 TYR A 108 108 PHE B Protein S 1 FT #SUB 76 76 TYR A 148 148 ILE B Protein S 1 FT #SUB 77 77 GLN A 73 73 PHE B Protein A 13 FT #SUB 77 77 GLN A 74 74 GLU B Protein S 1 FT #SUB 80 80 LEU A 73 73 PHE B Protein S 3 FT #SUB 80 80 LEU A 148 148 ILE B Protein S 2 FT #SUB 81 81 GLU A 73 73 PHE B Protein S 4 FT #SUB 81 81 GLU A 141 141 SER B Protein S 4 FT #SUB 81 81 GLU A 142 142 LYS B Protein S 8 FT #SUB 84 84 LEU A 141 141 SER B Protein S 2 FT #SUB 84 84 LEU A 143 143 GLN B Protein S 1 FT #SUB 84 84 LEU A 147 147 LEU B Protein S 1 FT #SUB 84 84 LEU A 148 148 ILE B Protein S 1 FT #SUB 85 85 SER A 143 143 GLN B Protein A 4 FT #SUB 87 87 HIS A 308 308 GLN B Protein S 5 FT #SUB 87 87 HIS A 311 311 LEU B Protein S 3 FT #SUB 87 87 HIS A 312 312 SER B Protein S 2 FT #SUB 89 89 THR A 316 316 ASN B Protein S 2 FT #SUB 89 89 THR A 317 317 ASP B Protein S 2 FT #SUB 90 90 ARG A 230 230 LYS B Protein S 4 FT #SUB 90 90 ARG A 231 231 GLU B Protein S 8 FT #SUB 90 90 ARG A 232 232 GLN B Protein S 1 FT #SUB 90 90 ARG A 314 314 LYS B Protein S 2 FT #SUB 108 108 PHE A 76 76 TYR B Protein S 1 FT #SUB 108 108 PHE A 112 112 THR B Protein S 1 FT #SUB 112 112 THR A 108 108 PHE B Protein S 2 FT #SUB 112 112 THR A 148 148 ILE B Protein A 5 FT #SUB 112 112 THR A 149 149 GLY B Protein A 6 FT #SUB 114 114 LEU A 147 147 LEU B Protein A 6 FT #SUB 114 114 LEU A 314 314 LYS B Protein S 1 FT #SUB 115 115 ARG A 136 136 LYS B Protein S 9 FT #SUB 115 115 ARG A 137 137 VAL B Protein S 3 FT #SUB 115 115 ARG A 146 146 ASN B Protein S 3 FT #SUB 115 115 ARG A 149 149 GLY B Protein A 4 FT #SUB 115 115 ARG A 150 150 ALA B Protein A 9 FT #SUB 115 115 ARG A 151 151 PHE B Protein A 4 FT #SUB 115 115 ARG A 314 314 LYS B Protein S 2 FT #SUB 136 136 LYS A 115 115 ARG B Protein S 11 FT #SUB 137 137 VAL A 115 115 ARG B Protein B 3 FT #SUB 141 141 SER A 81 81 GLU B Protein A 4 FT #SUB 141 141 SER A 84 84 LEU B Protein S 2 FT #SUB 142 142 LYS A 81 81 GLU B Protein A 9 FT #SUB 143 143 GLN A 84 84 LEU B Protein S 1 FT #SUB 143 143 GLN A 85 85 SER B Protein S 4 FT #SUB 146 146 ASN A 115 115 ARG B Protein S 3 FT #SUB 147 147 LEU A 84 84 LEU B Protein S 1 FT #SUB 147 147 LEU A 114 114 LEU B Protein A 6 FT #SUB 148 148 ILE A 76 76 TYR B Protein S 1 FT #SUB 148 148 ILE A 80 80 LEU B Protein S 2 FT #SUB 148 148 ILE A 84 84 LEU B Protein S 1 FT #SUB 148 148 ILE A 112 112 THR B Protein A 4 FT #SUB 149 149 GLY A 112 112 THR B Protein B 7 FT #SUB 149 149 GLY A 115 115 ARG B Protein B 4 FT #SUB 150 150 ALA A 115 115 ARG B Protein B 10 FT #SUB 151 151 PHE A 115 115 ARG B Protein S 4 FT #SUB 230 230 LYS A 90 90 ARG B Protein B 4 FT #SUB 231 231 GLU A 90 90 ARG B Protein A 8 FT #SUB 232 232 GLN A 90 90 ARG B Protein S 1 FT #SUB 308 308 GLN A 87 87 HIS B Protein A 5 FT #SUB 311 311 LEU A 87 87 HIS B Protein B 1 FT #SUB 312 312 SER A 87 87 HIS B Protein S 2 FT #SUB 314 314 LYS A 90 90 ARG B Protein B 2 FT #SUB 314 314 LYS A 114 114 LEU B Protein S 1 FT #SUB 314 314 LYS A 115 115 ARG B Protein S 1 FT #SUB 316 316 ASN A 89 89 THR B Protein B 2 FT #SUB 317 317 ASP A 89 89 THR B Protein B 2 FT #SUB 318 318 LYS A 32 32 ASP B Protein A 9 FT #SUB 318 318 LYS A 58 58 ASN B Protein S 2 FT #HET 115 115 ARG A 4 501 CRB B S 8 FT #HET 130 130 ASP A 1 600 ZN A S 1 FT #HET 130 130 ASP A 2 500 CRB A S 6 FT #HET 136 136 LYS A 2 500 CRB A S 11 FT #HET 146 146 ASN A 2 500 CRB A S 5 FT #HET 178 178 GLU A 1 600 ZN A S 3 FT #HET 178 178 GLU A 2 500 CRB A S 3 FT #HET 181 181 LYS A 2 500 CRB A S 3 FT #HET 221 221 LYS A 2 500 CRB A S 4 FT #HET 235 235 ARG A 2 500 CRB A S 11 FT #HET 238 238 LEU A 2 500 CRB A A 11 FT #HET 239 239 ASN A 2 500 CRB A A 5 FT #HET 242 242 HIS A 1 600 ZN A S 3 FT #HET 242 242 HIS A 2 500 CRB A S 8 FT #HET 246 246 HIS A 2 500 CRB A S 5 FT #HET 256 256 HIS A 1 600 ZN A S 3 FT #HET 256 256 HIS A 2 500 CRB A S 2 FT #HET 314 314 LYS A 2 500 CRB A S 5 FT DISORDER 353 354 CC SEQUENCE 352 AA (ATOM); CC MKLQTTYPSN NYPIYVEHGA IKYIGTYLNQ FDQSFLLIDE YVNQYFANKF DDILSYENVH CC KVIIPAGEKT KTFEQYQETL EYILSHHVTR NTAIIAVGGG ATGDFAGFVA ATLLRGVHFI CC QVPTTILAHD SSVGGKVGIN SKQGKNLIGA FYRPTAVIYD LDFLKTLPFK QILSGYAEVY CC KHALLNGESA TQDIEQHFKD REILQSLNGM DKYIAKGIET KLDIVVADEK EQGVRKFLNL CC GHTFGHAVEY YHKIPHGHAV MVGIIYQFIV ANALFDSKHD ISHYIQYLIQ LGYPLDMITD CC LDFETLYQYM LSDKKNDKQG VQMVLMRQFG DIVVQHVDQL TLQHACEQLK TY CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MKLQTTYPSNNYPIYVEHGAIKYIGTYLNQFDQSFLLIDEYVNQYFANKF CC ATOM MKLQTTYPSNNYPIYVEHGAIKYIGTYLNQFDQSFLLIDEYVNQYFANKF CC ************************************************** CC SEQRES DDILSYENVHKVIIPAGEKTKTFEQYQETLEYILSHHVTRNTAIIAVGGG CC ATOM DDILSYENVHKVIIPAGEKTKTFEQYQETLEYILSHHVTRNTAIIAVGGG CC ************************************************** CC SEQRES ATGDFAGFVAATLLRGVHFIQVPTTILAHDSSVGGKVGINSKQGKNLIGA CC ATOM ATGDFAGFVAATLLRGVHFIQVPTTILAHDSSVGGKVGINSKQGKNLIGA CC ************************************************** CC SEQRES FYRPTAVIYDLDFLKTLPFKQILSGYAEVYKHALLNGESATQDIEQHFKD CC ATOM FYRPTAVIYDLDFLKTLPFKQILSGYAEVYKHALLNGESATQDIEQHFKD CC ************************************************** CC SEQRES REILQSLNGMDKYIAKGIETKLDIVVADEKEQGVRKFLNLGHTFGHAVEY CC ATOM REILQSLNGMDKYIAKGIETKLDIVVADEKEQGVRKFLNLGHTFGHAVEY CC ************************************************** CC SEQRES YHKIPHGHAVMVGIIYQFIVANALFDSKHDISHYIQYLIQLGYPLDMITD CC ATOM YHKIPHGHAVMVGIIYQFIVANALFDSKHDISHYIQYLIQLGYPLDMITD CC ************************************************** CC SEQRES LDFETLYQYMLSDKKNDKQGVQMVLMRQFGDIVVQHVDQLTLQHACEQLK CC ATOM LDFETLYQYMLSDKKNDKQGVQMVLMRQFGDIVVQHVDQLTLQHACEQLK CC ************************************************** CC SEQRES TYFK CC ATOM TY-- CC ** SQ SEQUENCE 354 AA; MW; CN; MKLQTTYPSN NYPIYVEHGA IKYIGTYLNQ FDQSFLLIDE YVNQYFANKF DDILSYENVH KVIIPAGEKT KTFEQYQETL EYILSHHVTR NTAIIAVGGG ATGDFAGFVA ATLLRGVHFI QVPTTILAHD SSVGGKVGIN SKQGKNLIGA FYRPTAVIYD LDFLKTLPFK QILSGYAEVY KHALLNGESA TQDIEQHFKD REILQSLNGM DKYIAKGIET KLDIVVADEK EQGVRKFLNL GHTFGHAVEY YHKIPHGHAV MVGIIYQFIV ANALFDSKHD ISHYIQYLIQ LGYPLDMITD LDFETLYQYM LSDKKNDKQG VQMVLMRQFG DIVVQHVDQL TLQHACEQLK TYFK // ID 1XAIB STANDARD; PRT; 354 AA. DT CONVERTED FROM PDB (SEQRES) 1XAI DE 3-dehydroquinate synthase OS Staphylococcus aureus CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.300 CC R-Factor 0.211 FT #SUB 32 32 ASP B 318 318 LYS A Protein A 9 FT #SUB 58 58 ASN B 318 318 LYS A Protein S 2 FT #SUB 73 73 PHE B 76 76 TYR A Protein S 2 FT #SUB 73 73 PHE B 77 77 GLN A Protein S 13 FT #SUB 73 73 PHE B 80 80 LEU A Protein S 3 FT #SUB 73 73 PHE B 81 81 GLU A Protein S 4 FT #SUB 74 74 GLU B 77 77 GLN A Protein S 1 FT #SUB 76 76 TYR B 73 73 PHE A Protein S 1 FT #SUB 76 76 TYR B 108 108 PHE A Protein S 1 FT #SUB 76 76 TYR B 148 148 ILE A Protein S 1 FT #SUB 77 77 GLN B 73 73 PHE A Protein A 13 FT #SUB 77 77 GLN B 74 74 GLU A Protein S 1 FT #SUB 80 80 LEU B 73 73 PHE A Protein S 3 FT #SUB 80 80 LEU B 148 148 ILE A Protein S 2 FT #SUB 81 81 GLU B 73 73 PHE A Protein S 4 FT #SUB 81 81 GLU B 141 141 SER A Protein S 4 FT #SUB 81 81 GLU B 142 142 LYS A Protein S 9 FT #SUB 84 84 LEU B 141 141 SER A Protein S 2 FT #SUB 84 84 LEU B 143 143 GLN A Protein S 1 FT #SUB 84 84 LEU B 147 147 LEU A Protein S 1 FT #SUB 84 84 LEU B 148 148 ILE A Protein S 1 FT #SUB 85 85 SER B 143 143 GLN A Protein A 4 FT #SUB 87 87 HIS B 308 308 GLN A Protein S 5 FT #SUB 87 87 HIS B 311 311 LEU A Protein S 1 FT #SUB 87 87 HIS B 312 312 SER A Protein S 2 FT #SUB 89 89 THR B 316 316 ASN A Protein S 2 FT #SUB 89 89 THR B 317 317 ASP A Protein S 2 FT #SUB 90 90 ARG B 230 230 LYS A Protein S 4 FT #SUB 90 90 ARG B 231 231 GLU A Protein S 8 FT #SUB 90 90 ARG B 232 232 GLN A Protein S 1 FT #SUB 90 90 ARG B 314 314 LYS A Protein S 2 FT #SUB 108 108 PHE B 76 76 TYR A Protein S 1 FT #SUB 108 108 PHE B 112 112 THR A Protein S 2 FT #SUB 112 112 THR B 108 108 PHE A Protein S 1 FT #SUB 112 112 THR B 148 148 ILE A Protein A 4 FT #SUB 112 112 THR B 149 149 GLY A Protein A 7 FT #SUB 114 114 LEU B 147 147 LEU A Protein A 6 FT #SUB 114 114 LEU B 314 314 LYS A Protein S 1 FT #SUB 115 115 ARG B 136 136 LYS A Protein S 11 FT #SUB 115 115 ARG B 137 137 VAL A Protein S 3 FT #SUB 115 115 ARG B 146 146 ASN A Protein S 3 FT #SUB 115 115 ARG B 149 149 GLY A Protein A 4 FT #SUB 115 115 ARG B 150 150 ALA A Protein A 10 FT #SUB 115 115 ARG B 151 151 PHE A Protein A 4 FT #SUB 115 115 ARG B 314 314 LYS A Protein S 1 FT #SUB 136 136 LYS B 115 115 ARG A Protein S 9 FT #SUB 137 137 VAL B 115 115 ARG A Protein B 3 FT #SUB 141 141 SER B 81 81 GLU A Protein A 4 FT #SUB 141 141 SER B 84 84 LEU A Protein S 2 FT #SUB 142 142 LYS B 81 81 GLU A Protein A 8 FT #SUB 143 143 GLN B 84 84 LEU A Protein S 1 FT #SUB 143 143 GLN B 85 85 SER A Protein S 4 FT #SUB 146 146 ASN B 115 115 ARG A Protein S 3 FT #SUB 147 147 LEU B 84 84 LEU A Protein S 1 FT #SUB 147 147 LEU B 114 114 LEU A Protein A 6 FT #SUB 148 148 ILE B 76 76 TYR A Protein S 1 FT #SUB 148 148 ILE B 80 80 LEU A Protein S 2 FT #SUB 148 148 ILE B 84 84 LEU A Protein S 1 FT #SUB 148 148 ILE B 112 112 THR A Protein A 5 FT #SUB 149 149 GLY B 112 112 THR A Protein B 6 FT #SUB 149 149 GLY B 115 115 ARG A Protein B 4 FT #SUB 150 150 ALA B 115 115 ARG A Protein B 9 FT #SUB 151 151 PHE B 115 115 ARG A Protein S 4 FT #SUB 230 230 LYS B 90 90 ARG A Protein B 4 FT #SUB 231 231 GLU B 90 90 ARG A Protein A 8 FT #SUB 232 232 GLN B 90 90 ARG A Protein S 1 FT #SUB 308 308 GLN B 87 87 HIS A Protein A 5 FT #SUB 311 311 LEU B 87 87 HIS A Protein A 3 FT #SUB 312 312 SER B 87 87 HIS A Protein S 2 FT #SUB 314 314 LYS B 90 90 ARG A Protein B 2 FT #SUB 314 314 LYS B 114 114 LEU A Protein S 1 FT #SUB 314 314 LYS B 115 115 ARG A Protein S 2 FT #SUB 316 316 ASN B 89 89 THR A Protein B 2 FT #SUB 317 317 ASP B 32 32 ASP A Protein B 1 FT #SUB 317 317 ASP B 89 89 THR A Protein B 2 FT #SUB 318 318 LYS B 32 32 ASP A Protein A 8 FT #SUB 318 318 LYS B 58 58 ASN A Protein S 2 FT #HET 115 115 ARG B 2 500 CRB A S 8 FT #HET 130 130 ASP B 3 601 ZN B S 1 FT #HET 130 130 ASP B 4 501 CRB B S 5 FT #HET 136 136 LYS B 4 501 CRB B S 13 FT #HET 146 146 ASN B 4 501 CRB B S 5 FT #HET 178 178 GLU B 3 601 ZN B S 3 FT #HET 178 178 GLU B 4 501 CRB B S 3 FT #HET 181 181 LYS B 4 501 CRB B S 1 FT #HET 221 221 LYS B 4 501 CRB B S 2 FT #HET 235 235 ARG B 4 501 CRB B S 11 FT #HET 238 238 LEU B 4 501 CRB B A 13 FT #HET 239 239 ASN B 4 501 CRB B A 5 FT #HET 242 242 HIS B 3 601 ZN B S 3 FT #HET 242 242 HIS B 4 501 CRB B S 8 FT #HET 246 246 HIS B 4 501 CRB B S 6 FT #HET 256 256 HIS B 3 601 ZN B S 3 FT #HET 256 256 HIS B 4 501 CRB B S 2 FT #HET 314 314 LYS B 4 501 CRB B S 4 FT DISORDER 353 354 CC SEQUENCE 352 AA (ATOM); CC MKLQTTYPSN NYPIYVEHGA IKYIGTYLNQ FDQSFLLIDE YVNQYFANKF DDILSYENVH CC KVIIPAGEKT KTFEQYQETL EYILSHHVTR NTAIIAVGGG ATGDFAGFVA ATLLRGVHFI CC QVPTTILAHD SSVGGKVGIN SKQGKNLIGA FYRPTAVIYD LDFLKTLPFK QILSGYAEVY CC KHALLNGESA TQDIEQHFKD REILQSLNGM DKYIAKGIET KLDIVVADEK EQGVRKFLNL CC GHTFGHAVEY YHKIPHGHAV MVGIIYQFIV ANALFDSKHD ISHYIQYLIQ LGYPLDMITD CC LDFETLYQYM LSDKKNDKQG VQMVLMRQFG DIVVQHVDQL TLQHACEQLK TY CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MKLQTTYPSNNYPIYVEHGAIKYIGTYLNQFDQSFLLIDEYVNQYFANKF CC ATOM MKLQTTYPSNNYPIYVEHGAIKYIGTYLNQFDQSFLLIDEYVNQYFANKF CC ************************************************** CC SEQRES DDILSYENVHKVIIPAGEKTKTFEQYQETLEYILSHHVTRNTAIIAVGGG CC ATOM DDILSYENVHKVIIPAGEKTKTFEQYQETLEYILSHHVTRNTAIIAVGGG CC ************************************************** CC SEQRES ATGDFAGFVAATLLRGVHFIQVPTTILAHDSSVGGKVGINSKQGKNLIGA CC ATOM ATGDFAGFVAATLLRGVHFIQVPTTILAHDSSVGGKVGINSKQGKNLIGA CC ************************************************** CC SEQRES FYRPTAVIYDLDFLKTLPFKQILSGYAEVYKHALLNGESATQDIEQHFKD CC ATOM FYRPTAVIYDLDFLKTLPFKQILSGYAEVYKHALLNGESATQDIEQHFKD CC ************************************************** CC SEQRES REILQSLNGMDKYIAKGIETKLDIVVADEKEQGVRKFLNLGHTFGHAVEY CC ATOM REILQSLNGMDKYIAKGIETKLDIVVADEKEQGVRKFLNLGHTFGHAVEY CC ************************************************** CC SEQRES YHKIPHGHAVMVGIIYQFIVANALFDSKHDISHYIQYLIQLGYPLDMITD CC ATOM YHKIPHGHAVMVGIIYQFIVANALFDSKHDISHYIQYLIQLGYPLDMITD CC ************************************************** CC SEQRES LDFETLYQYMLSDKKNDKQGVQMVLMRQFGDIVVQHVDQLTLQHACEQLK CC ATOM LDFETLYQYMLSDKKNDKQGVQMVLMRQFGDIVVQHVDQLTLQHACEQLK CC ************************************************** CC SEQRES TYFK CC ATOM TY-- CC ** SQ SEQUENCE 354 AA; MW; CN; MKLQTTYPSN NYPIYVEHGA IKYIGTYLNQ FDQSFLLIDE YVNQYFANKF DDILSYENVH KVIIPAGEKT KTFEQYQETL EYILSHHVTR NTAIIAVGGG ATGDFAGFVA ATLLRGVHFI QVPTTILAHD SSVGGKVGIN SKQGKNLIGA FYRPTAVIYD LDFLKTLPFK QILSGYAEVY KHALLNGESA TQDIEQHFKD REILQSLNGM DKYIAKGIET KLDIVVADEK EQGVRKFLNL GHTFGHAVEY YHKIPHGHAV MVGIIYQFIV ANALFDSKHD ISHYIQYLIQ LGYPLDMITD LDFETLYQYM LSDKKNDKQG VQMVLMRQFG DIVVQHVDQL TLQHACEQLK TYFK //