Table 2.
C-H⋯O interacting residues in the active site of β-lactamases
| PDB ID | Active site residues |
|---|---|
| 3P09-A | Asp 192 Lys 193 Lys 176 Tyr 39 Asn 48 Lys 50 Leu 137 Gly 136 Gln 138 Gly 228 Thr 229 Ser 61 Ser 122 Thr 227 Asn 150 Lys 35 |
| 3GSG-A | Leu 157 Leu 161 Trp 93 Lys 164 Gly 81 Ala 79 Val 308 Arg 309 Ala 307 Ser 64 Gly 317 Thr 316 Ala 318 Tyr 221 Asn 152 |
| 1 W7F-A | Thr 235 Thr 216 Ser 130 Lys 73 Tyr 105 Ser 70 Ala 237 Ala 69 Gly 236 |
| 1I2S-A | Ser 130 Ser 70 Thr 235 Arg 244 Gly 236 Ala 237 Thr 216 Thr 274 |
| 3S1Y-A | Asn 373 Tyr 177 Ala 319 Gly 344 Gly 89 Thr 346 Val 239 Pro 241 Gly 242 Tyr 249 Gln 146 Lys 342 Thr 343 Thr 316 Leu 320 Ala 319 Gln 321 Pro 322 Phe 147 |
| 1FR6-A | Thr 316 Tyr 150 Gln 120 Leu 119 Asp 123 Pro 122 Asp 124 Tyr 221 Asn 152 Thr 319 Gly 63 Gly 317 Lys 315 |
| 1JTG-A | Arg 144 Asp 135 Asp 133 |
| 1JTD-A | Glu 37 |
| 4BLM-A | Ser 70 Ser 130 Tyr 105 |
| 3BFD-A | Ser 130 Ser 70 Trp 105 Ala 237 |
| 1SHV-A | Val 224 Ala 280 Ile 279 Val 261 Gly 283 Ile 263 Ile 246 Ala 248 Ile 287 Ala 284 Pro 226 |
| 3L6N-A | Thr 80 Lys 23 Lys 83 His 228 Val 229 Ile 216 Gly 226 Gly 227 His 98 His 96 His 159 Cys 178 His 220 Asp 100 |
| 1ZKP-B | Ala 237 Ser 130 Ser 70 Ser 235 Arg 244 Met 69 Tyr 105 Val 216 Gly 236 |
| 3PY6-A | Arg 222 Leu 225 |
| 3OPL-A | Gln 277 Ile 246 Ala 280 Ala 284 Gly 281 Ile 231 Gly 283 Ala 248 Leu 250 Val 224 Ile 279 Arg 244 Tyr 105 Gly 236 Ser 70 Ser 130 Val 216 Lys 234 Thr 235 |
| 3RKK-A | His 189 Lys 211 His 250 Gly 219 Ser 251 His 250 Asp 212 Asp 212 Lys 211 Arg264 Arg 234 Gln 44 Gln 107 Phe 46 Gln 53 Leu 54 Ala 55 Gly 200 Thr 201 Pro 56 Asn 57 Ser 249 His 250 Asp 124 Lys 125 His 120 Cys 208 |
| 3BYD-A | Thr 238 Ser 73 Ser 133 Gly 239 Ala 240 Trp 232 His 257 Glu 255 Ser 231 Asn 256 Pro 254 Gly 221 Lys 180 Arg 68 Arg 181 |
| 1GHI-A | Ser 70 Ser 130 Ser 235 |
| 3SH8-A | Asn 104 Asn 132 Ser 70 Glu 168 Ala 69 Ser 130 Gly 236 Thr 235 Arg 244 Ala 237 |
| 1K4F-A | Arg 160 Thr 206 Ser 115 Ser 67 Arg 250 Phe 208 Gly 207 |
| 3CJM-A | Ser 108 Ala 107 Lys 111 Lys 174 Ile 110 Gln 193 Glu 190 Arg 189 Lys 77 Val 76 Gln 193 Glu 246 Gln 251 Thr 247 Pro 248 Glu 243 Asn 288 Ala 292 Glu 243 Ile 258 Phe 241 |
| 1K38-A | Arg 244 Ser 115 Thr 206 Gly 207 Trp 208 |
| 3M2K-A | Ser 70 Asn 132 Lys 73 Ser 130 Ala 238 Gly 236 Ala 237 Thr 235 |
| 2FU6-A | Thr 181 Arg 172 Ile 180 Lys 297 Asn 210 Arg 252 Asp 152 Arg 148 Arg 130 Thr 181 Arg 172 Ile 180 Arg 110 |
| 3QI0-A | Ala 99 Pro 98 Ala 60 Gly 48 Trp 47 Asn 90 Ala 89 Ala 177 Pro 176 Ala 216 Pro 215 Arg 286 Gly 49 Gly 48 |
| 1S6R-A | Ser 64 Tyr 150 Gln 120 Ser 318 Gly 317 Gly 63 Tyr 221 Asn 152 |
| 1BC2-A | Ser 172 Glu 212 Ser 174 Thr 173 Gly 211 |
| 1ZC2-A | Ser 64 Ser 318 Asn 346 Lys 315 Thr 316 Gly 317 Ala 292 Leu 293 |
| 1IYS-A | Ser 237 Thr 235 Ser 70 Ser 130 Gly 236 Arg 276 Arg 274 Glu 273 Arg 276 Asp 277 Arg 275 Arg 178 Gln 270 Glu 269 Trp 229 Glu 254 Asn 255 Pro 252 Phe 290 His 256 Asn 92 His 89 His 112 Lys 111 Ile 108 |
| 2YZ3-A | Ser 17 Thr 15 Val 16 Asp 43 |
| 1WUP-A | Lys 161 Glu 81 His 139 Asn 167 Cys 158 |
| 1FOF-B | Thr 206 Lys 205 Arg 250 Ser 67 Ser 115 Gly 207 |
| 1N4O-A | Ser 237 Ser 70 Thr 235 Gly 236 Ser 130 Arg 178 |
| 1Q2Q-A | Asn 152 Ser 321 Gln 120 Ser 64 Thr 322 Tyr 224 Gly 320 Leu 119 Asp 248 Ala 247 Val 246 Leu 182 Pro 181 |
| 1RGY-A | Tyr 150 Ser 64 Asn 152 Gln 120 Ser 318 Gly 317 Gly 63 Val 211 Tyr 221 Thr 319 |
| 1H8Z-A | Thr 206 Arg 250 Gly 207 Lys 182 Asn 176 Asn 85 |
| 1MBL-A | Arg 244 Ser 130 Thr 235 Ser 70 Gly 236 |
| 2A3U-A | Asp 104 Tyr 105 Asn170 Asn 132 Ser 70 Ala 237 Thr 167 Met 69 Met 69 Ala 284 Ile 279 Ile 287 Ala 280 Ile 263 Ile 246 Val 261 Ala 248 Ala 280 Ile 221 Pro 226 Val 224 Ala 280 Asn 276 Ile 279 Ile 246 Thr 235 Arg 244 Thr 235 Ser 70 Ser 130 Lys 234 Arg 244 Gly 236 Lys 234 |
| 1Y54-A | Ser 64 Asn 154 Leu 119 Tyr 221 Gly 317 |
| 2BG8-A | Asp 89 Asp 88 Lys 90 Gly 193 Tyr 191 Lys 194 Gln 210 Lys 186 Asn 75 Lys 106 Tyr 191 Gly 193 Pro 192 Asn 248 Thr 176 Lys 148 Ser 227 Ser 225 Glu 265 Gly 264 Thr 226 Arg 131 Lys 93 Glu 97 Lys 147 Asn 233 |
| 1DD6-A | Arg 266 Glu 23 Phe 51 Val 25 Lys 33 His 79 His 197 Asp 81 Cys 158 Val 31 Trp 28 Gly 164 Leu 165 His 139 Asn 167 Gly 166 |
| 1M2X-A | Lys 197 Asp 119 Tyr 233 His 118 Asp120 His 196 His 263 Ala 237 Tyr 238 Glu 236 |
| 1JJE-A | Pro 32 Glu 199 Phe 22 Thr 20 His 34 Lys 8 His 79 Asp 170 His 139 Asn 167 His 197 Asp 81 Lys 161 Asn 167 Cys 158 Gly 166 Trp 28 Val 25 Ser 80 |
| 2A49-A | Ser 70 Ala 237 Met 272 Gly 236 Asn 170 Met 69 Val 224 Glu 288 Pro 226 Ala 284 Ile 221 Ile 279 Ala 280 Ile 263 Ile 231 Ala 248 Val 261 Leu 220 Ala 280 Ile 279 Asn 276 Arg 244 Thr 235 Ser 130 Ser 70 Thr 235 Arg 244 Val 216 |
| 1BSG-A | Lys 290 Gly 291 Ala 287 |
| 2WRS-A | Trp 87 Asp 118 Phe 62 Gly 209 His 179 His 114 His 240 Asn 210 Arg 205 Gly 168 Arg 109 Phe 167 Arg 166 Ala 132 Gly 130 Arg 127 His 153 Thr 152 |
| 1E25-A | Gly 236 Thr 235 Ser 130 Thr 237 Ser 70 |
| 2V20-A | Arg 220 Arg 219 Lys 214 Ser 215 Ser 110 Arg 223 Val 196 Ser 50 Gly 216 |
| 1DDK-A | Asp 81 His 197 |
| 2ZJ9-A | Tyr 266 Arg 148 Ile 291 Met 265 Glu 272 Gln 139 Gln 100 Trp 138 |
| 1L9Y-A | Lys 100 Phe 106 Ser 107 Lys 105 Asp 67 Asp 120 His 263 His 196 Asn 225 Lys 291 Lys 212 Tyr 214 Arg 78 Lys 172 Glu 181 Arg 179 Met 137 Val 180 His 190 Thr 204 Met 254 Gln 215 Ser 252 Met 205 Lys 206 Thr 188 His 118 His 196 His 116 His 121 Asp 120 Asp 86 His 263 |
| 1HZO-A | Ser 130 Ser 237 Lys 234 Thr 235 Tyr 105 Gly 236 Ser 70 |
| 3GMV-X | Pro 114 Trp 65 Thr 59 |
| 1O7E-A | Val 141 Gly 140 Ser 130 Ser 70 Thr 235 Ser 237 Gly 226 Arg 178 Lys 38 Lys 38 Gly 175 Lys 174 Arg 65 Arg 153 Arg 204 Gln 205 |
| 1M6K-A | Ala 215 Val 117 Trp 102 Ser 115 Leu 255 Glu 122 Lys 126 Ile 82 Phe 114 Ile 101 Glu 196 Asn 193 Ser 189 Glu 192 Pro 185 Leu 184 Asn 183 Asn 188 Val 186 Lys 187 |
| 3IWI-A | His 186 Asp 232 |
| 2Y87-A | His 196 His 116 His 118 His 196 Asp 236 Cys 221 His 263 Asp 120 Cys 221 |
| 2WGI-A | Ser 67 Ser 115 Arg 250 Thr 206 Val 117 Leu 155 Ala 66 |
| 3IF6-A | Lys 75 Ser 72 Lys 210 Thr 211 Arg 249 Asn 119 Ser 120 Arg 242 Gly 212 Ile 198 Arg 118 Thr 199 Met 117 Lys 210 Leu 196 Met 197 |
| 3C5A-A | Gly 236 Thr 237 Thr 235 Thr 216 Ser 130 Ser 70 |
| 2FHX-A | Tyr 67 Lys 224 Gly 232 Tyr 233 His 196 |
| 3PAE-A | Leu 168 Ala 80 Val 130 Leu 127 Ser 128 Met 114 Trp 115 Tyr 112 Gly 258 Gly 220 Trp 221 Glu 143 Gly 141 Leu 142 |
| 3Q6X-A | Asn 220 His 189 Trp 93 His 122 Met 67 Leu 65 Gly 219 Asp 124 Cys208 Ile 203 Ala 243 Lys 242 Phe 240 Asp 199 Ile 198 Thr 201 |
| 3QNC-A | Tyr 208 Gly 207 Arg 250 Thr 206 Lys 205 Ser 115 Ser 67 Lys 134 Lys 138 Lys 49 Gly 20 |
| 3GMW-A | Ser 140 Gln 109 His 142 Lys 125 Tyr 126 |
Fifth letter of the PDB code indicates the chain