6SCZ
Mycobacterium tuberculosis alanine racemase inhibited by DCS
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0003824 | molecular_function | catalytic activity |
| A | 0005515 | molecular_function | protein binding |
| A | 0005829 | cellular_component | cytosol |
| A | 0006522 | biological_process | alanine metabolic process |
| A | 0008784 | molecular_function | alanine racemase activity |
| A | 0009252 | biological_process | peptidoglycan biosynthetic process |
| A | 0016853 | molecular_function | isomerase activity |
| A | 0030170 | molecular_function | pyridoxal phosphate binding |
| A | 0030632 | biological_process | D-alanine biosynthetic process |
| B | 0003824 | molecular_function | catalytic activity |
| B | 0005515 | molecular_function | protein binding |
| B | 0005829 | cellular_component | cytosol |
| B | 0006522 | biological_process | alanine metabolic process |
| B | 0008784 | molecular_function | alanine racemase activity |
| B | 0009252 | biological_process | peptidoglycan biosynthetic process |
| B | 0016853 | molecular_function | isomerase activity |
| B | 0030170 | molecular_function | pyridoxal phosphate binding |
| B | 0030632 | biological_process | D-alanine biosynthetic process |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 6 |
| Details | binding site for residue GOL A 401 |
| Chain | Residue |
| A | LEU307 |
| A | ASN309 |
| A | GLY310 |
| A | GLU340 |
| A | ILE342 |
| A | HOH630 |
| site_id | AC2 |
| Number of Residues | 4 |
| Details | binding site for residue GOL A 402 |
| Chain | Residue |
| A | PEG419 |
| A | ASP246 |
| A | GLY248 |
| A | LEU249 |
| site_id | AC3 |
| Number of Residues | 5 |
| Details | binding site for residue GOL A 403 |
| Chain | Residue |
| A | ALA243 |
| A | ALA243 |
| A | GLY245 |
| A | GOL404 |
| A | GOL404 |
| site_id | AC4 |
| Number of Residues | 6 |
| Details | binding site for residue GOL A 404 |
| Chain | Residue |
| A | PRO242 |
| A | ALA243 |
| A | GLN355 |
| A | ASP359 |
| A | GOL403 |
| A | GOL403 |
| site_id | AC5 |
| Number of Residues | 6 |
| Details | binding site for residue CA A 405 |
| Chain | Residue |
| A | ASP339 |
| A | ASP339 |
| A | HOH651 |
| A | HOH651 |
| A | HOH678 |
| A | HOH678 |
| site_id | AC6 |
| Number of Residues | 3 |
| Details | binding site for residue CL A 406 |
| Chain | Residue |
| A | GLN323 |
| B | TRP90 |
| B | ASN143 |
| site_id | AC7 |
| Number of Residues | 2 |
| Details | binding site for residue CL A 407 |
| Chain | Residue |
| A | LEU113 |
| A | GLN149 |
| site_id | AC8 |
| Number of Residues | 2 |
| Details | binding site for residue EDO A 408 |
| Chain | Residue |
| A | HIS25 |
| A | ARG28 |
| site_id | AC9 |
| Number of Residues | 10 |
| Details | binding site for residue EDO A 409 |
| Chain | Residue |
| A | ALA178 |
| A | ILE364 |
| A | TYR366 |
| A | L7N425 |
| A | OJQ426 |
| A | HOH502 |
| A | HOH520 |
| A | HOH554 |
| A | HOH632 |
| B | ARG318 |
| site_id | AD1 |
| Number of Residues | 4 |
| Details | binding site for residue EDO A 410 |
| Chain | Residue |
| A | LYS263 |
| A | SER264 |
| A | HOH503 |
| B | ARG114 |
| site_id | AD2 |
| Number of Residues | 7 |
| Details | binding site for residue EDO A 411 |
| Chain | Residue |
| A | GLY302 |
| A | ARG303 |
| A | GLU305 |
| A | PRO314 |
| A | HOH508 |
| A | HOH523 |
| A | HOH543 |
| site_id | AD3 |
| Number of Residues | 3 |
| Details | binding site for residue EDO A 412 |
| Chain | Residue |
| A | GLY35 |
| A | HIS36 |
| A | PRO222 |
| site_id | AD4 |
| Number of Residues | 4 |
| Details | binding site for residue EDO A 413 |
| Chain | Residue |
| A | GLY268 |
| A | GLY270 |
| A | HIS275 |
| B | EDO413 |
| site_id | AD5 |
| Number of Residues | 4 |
| Details | binding site for residue EDO A 414 |
| Chain | Residue |
| A | ALA195 |
| A | GLN199 |
| A | HOH511 |
| A | HOH588 |
| site_id | AD6 |
| Number of Residues | 2 |
| Details | binding site for residue EDO A 415 |
| Chain | Residue |
| A | LEU360 |
| A | HOH501 |
| site_id | AD7 |
| Number of Residues | 10 |
| Details | binding site for residue EDO A 416 |
| Chain | Residue |
| A | ARG281 |
| A | ARG311 |
| A | ARG312 |
| A | CYS313 |
| A | PRO314 |
| A | ASP327 |
| A | LEU328 |
| A | GLY329 |
| A | HOH504 |
| A | HOH680 |
| site_id | AD8 |
| Number of Residues | 6 |
| Details | binding site for residue EDO A 417 |
| Chain | Residue |
| A | ALA293 |
| A | ASP294 |
| A | MET321 |
| A | ASP322 |
| A | ARG375 |
| B | HOH646 |
| site_id | AD9 |
| Number of Residues | 3 |
| Details | binding site for residue EDO A 418 |
| Chain | Residue |
| A | ARG312 |
| A | ASP356 |
| A | HOH525 |
| site_id | AE1 |
| Number of Residues | 6 |
| Details | binding site for residue PEG A 419 |
| Chain | Residue |
| A | ASP19 |
| A | VAL250 |
| A | ILE348 |
| A | GOL402 |
| A | HOH527 |
| A | HOH629 |
| site_id | AE2 |
| Number of Residues | 5 |
| Details | binding site for residue PEG A 420 |
| Chain | Residue |
| A | ASP223 |
| A | LEU224 |
| A | THR225 |
| A | PHE226 |
| A | HOH653 |
| site_id | AE3 |
| Number of Residues | 12 |
| Details | binding site for residue PEG A 421 |
| Chain | Residue |
| A | ARG298 |
| A | SER299 |
| A | GLU367 |
| A | HOH593 |
| A | HOH621 |
| A | HOH667 |
| B | PHE297 |
| B | VAL361 |
| B | THR363 |
| B | GLU367 |
| B | HOH539 |
| A | PHE297 |
| site_id | AE4 |
| Number of Residues | 9 |
| Details | binding site for residue PEG A 422 |
| Chain | Residue |
| A | ASP137 |
| A | THR138 |
| A | ASN141 |
| A | PRO147 |
| A | ARG192 |
| A | PHE196 |
| A | GLU202 |
| A | HOH704 |
| B | GLU269 |
| site_id | AE5 |
| Number of Residues | 4 |
| Details | binding site for residue P4K A 423 |
| Chain | Residue |
| A | ASP182 |
| A | MET219 |
| A | ALA220 |
| A | ARG221 |
| site_id | AE6 |
| Number of Residues | 9 |
| Details | binding site for residue P4K A 424 |
| Chain | Residue |
| A | ALA258 |
| A | LEU333 |
| A | VAL335 |
| A | GLU337 |
| A | GLY338 |
| A | TRS427 |
| A | HOH555 |
| B | PRO94 |
| B | GLY95 |
| site_id | AE7 |
| Number of Residues | 20 |
| Details | binding site for residue L7N A 425 |
| Chain | Residue |
| A | LYS44 |
| A | TYR48 |
| A | TRP90 |
| A | HIS174 |
| A | SER215 |
| A | ARG230 |
| A | GLY232 |
| A | ILE233 |
| A | TYR366 |
| A | EDO409 |
| A | OJQ426 |
| A | HOH520 |
| A | HOH590 |
| A | HOH605 |
| A | HOH613 |
| B | TYR273 |
| B | TYR292 |
| B | CYS320 |
| B | MET321 |
| B | HOH501 |
| site_id | AE8 |
| Number of Residues | 22 |
| Details | binding site for residue OJQ A 426 |
| Chain | Residue |
| A | LYS44 |
| A | TYR48 |
| A | TRP90 |
| A | ARG142 |
| A | HIS174 |
| A | ASN214 |
| A | SER215 |
| A | ARG230 |
| A | GLY232 |
| A | ILE233 |
| A | TYR366 |
| A | EDO409 |
| A | L7N425 |
| A | HOH520 |
| A | HOH590 |
| A | HOH605 |
| A | HOH613 |
| B | TYR273 |
| B | TYR292 |
| B | CYS320 |
| B | MET321 |
| B | HOH501 |
| site_id | AE9 |
| Number of Residues | 6 |
| Details | binding site for residue TRS A 427 |
| Chain | Residue |
| A | ASN309 |
| A | ASP334 |
| A | GLY338 |
| A | ASP339 |
| A | P4K424 |
| A | HOH651 |
| site_id | AF1 |
| Number of Residues | 6 |
| Details | binding site for residue GOL B 401 |
| Chain | Residue |
| B | ASP223 |
| B | THR225 |
| B | PHE226 |
| B | HOH517 |
| B | HOH550 |
| B | HOH656 |
| site_id | AF2 |
| Number of Residues | 6 |
| Details | binding site for residue GOL B 402 |
| Chain | Residue |
| B | LEU197 |
| B | PHE207 |
| B | ASP227 |
| B | HOH503 |
| B | HOH506 |
| B | HOH661 |
| site_id | AF3 |
| Number of Residues | 5 |
| Details | binding site for residue GOL B 403 |
| Chain | Residue |
| B | LEU307 |
| B | ASN309 |
| B | GLY310 |
| B | GLU340 |
| B | HOH633 |
| site_id | AF4 |
| Number of Residues | 4 |
| Details | binding site for residue CL B 404 |
| Chain | Residue |
| B | ASP137 |
| B | ARG142 |
| B | GLY144 |
| B | HOH721 |
| site_id | AF5 |
| Number of Residues | 9 |
| Details | binding site for residue EDO B 405 |
| Chain | Residue |
| B | ALA178 |
| B | ASP179 |
| B | SER239 |
| B | PRO240 |
| B | PRO242 |
| B | HIS365 |
| B | TYR366 |
| B | HOH573 |
| B | HOH641 |
| site_id | AF6 |
| Number of Residues | 9 |
| Details | binding site for residue EDO B 406 |
| Chain | Residue |
| B | ALA178 |
| B | ILE364 |
| B | TYR366 |
| B | OJQ422 |
| B | HOH516 |
| B | HOH563 |
| B | HOH608 |
| B | HOH631 |
| B | HOH637 |
| site_id | AF7 |
| Number of Residues | 2 |
| Details | binding site for residue EDO B 407 |
| Chain | Residue |
| B | ASP246 |
| B | EDO409 |
| site_id | AF8 |
| Number of Residues | 6 |
| Details | binding site for residue EDO B 408 |
| Chain | Residue |
| A | SER264 |
| A | ILE265 |
| A | ARG266 |
| A | HOH503 |
| B | ASP117 |
| B | HOH507 |
| site_id | AF9 |
| Number of Residues | 6 |
| Details | binding site for residue EDO B 409 |
| Chain | Residue |
| B | VAL250 |
| B | ILE348 |
| B | EDO407 |
| B | EDO414 |
| B | HOH508 |
| B | HOH602 |
| site_id | AG1 |
| Number of Residues | 4 |
| Details | binding site for residue EDO B 410 |
| Chain | Residue |
| B | GLU24 |
| B | HIS25 |
| B | ARG28 |
| B | HOH643 |
| site_id | AG2 |
| Number of Residues | 5 |
| Details | binding site for residue EDO B 411 |
| Chain | Residue |
| A | GLU202 |
| A | GLN203 |
| B | ALA198 |
| B | ARG201 |
| B | GLU202 |
| site_id | AG3 |
| Number of Residues | 4 |
| Details | binding site for residue EDO B 412 |
| Chain | Residue |
| A | ARG158 |
| B | GLN191 |
| B | THR194 |
| B | ALA195 |
| site_id | AG4 |
| Number of Residues | 4 |
| Details | binding site for residue EDO B 413 |
| Chain | Residue |
| A | HIS275 |
| A | EDO413 |
| B | TYR177 |
| B | ASP183 |
| site_id | AG5 |
| Number of Residues | 6 |
| Details | binding site for residue EDO B 414 |
| Chain | Residue |
| B | GLY21 |
| B | ALA22 |
| B | HIS25 |
| B | EDO409 |
| B | HOH508 |
| B | HOH511 |
| site_id | AG6 |
| Number of Residues | 5 |
| Details | binding site for residue EDO B 415 |
| Chain | Residue |
| A | GLU337 |
| B | PRO94 |
| B | SER112 |
| B | ARG114 |
| B | HOH617 |
| site_id | AG7 |
| Number of Residues | 5 |
| Details | binding site for residue PEG B 416 |
| Chain | Residue |
| A | HOH684 |
| B | GLY374 |
| B | ARG375 |
| B | HOH504 |
| B | HOH513 |
| site_id | AG8 |
| Number of Residues | 6 |
| Details | binding site for residue PEG B 417 |
| Chain | Residue |
| B | HIS25 |
| B | VAL29 |
| B | HIS33 |
| B | MET247 |
| B | GLY248 |
| B | PEG418 |
| site_id | AG9 |
| Number of Residues | 4 |
| Details | binding site for residue PEG B 418 |
| Chain | Residue |
| B | HIS33 |
| B | MET219 |
| B | MET247 |
| B | PEG417 |
| site_id | AH1 |
| Number of Residues | 9 |
| Details | binding site for residue P4K B 419 |
| Chain | Residue |
| A | ASP97 |
| A | GLY99 |
| A | ARG125 |
| B | ASP182 |
| B | ALA220 |
| B | ARG221 |
| B | ASP223 |
| B | HOH512 |
| B | HOH678 |
| site_id | AH2 |
| Number of Residues | 9 |
| Details | binding site for residue P4K B 420 |
| Chain | Residue |
| B | GLU32 |
| B | HIS33 |
| B | ALA34 |
| B | PRO222 |
| B | THR225 |
| B | PHE226 |
| B | ASP227 |
| B | PRO332 |
| B | HOH540 |
| site_id | AH3 |
| Number of Residues | 8 |
| Details | binding site for residue P4K B 421 |
| Chain | Residue |
| B | GLN107 |
| B | ARG167 |
| B | ARG169 |
| B | GLU208 |
| B | LEU333 |
| B | HOH572 |
| B | HOH682 |
| B | HOH699 |
| site_id | AH4 |
| Number of Residues | 21 |
| Details | binding site for residue OJQ B 422 |
| Chain | Residue |
| A | TYR273 |
| A | TYR292 |
| A | CYS320 |
| A | MET321 |
| A | HOH505 |
| B | LYS44 |
| B | TYR48 |
| B | TRP90 |
| B | ARG142 |
| B | HIS174 |
| B | ASN214 |
| B | SER215 |
| B | ARG230 |
| B | GLY232 |
| B | ILE233 |
| B | TYR366 |
| B | EDO406 |
| B | HOH563 |
| B | HOH626 |
| B | HOH637 |
| B | HOH641 |
| site_id | AH5 |
| Number of Residues | 6 |
| Details | binding site for residue TRS B 423 |
| Chain | Residue |
| B | ASP137 |
| B | GLY139 |
| B | PRO147 |
| B | ARG192 |
| B | HOH590 |
| B | HOH715 |
Functional Information from PROSITE/UniProt
| site_id | PS00395 |
| Number of Residues | 11 |
| Details | ALANINE_RACEMASE Alanine racemase pyridoxal-phosphate attachment site. AVvKADGYGHG |
| Chain | Residue | Details |
| A | ALA41-GLY51 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 2 |
| Details | ACT_SITE: Proton acceptor; specific for D-alanine => ECO:0000255|HAMAP-Rule:MF_01201 |
| Chain | Residue | Details |
| A | VAL42 | |
| B | VAL42 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 2 |
| Details | ACT_SITE: Proton acceptor; specific for L-alanine => ECO:0000255|HAMAP-Rule:MF_01201 |
| Chain | Residue | Details |
| A | VAL271 | |
| B | VAL271 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 4 |
| Details | BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_01201 |
| Chain | Residue | Details |
| A | LEU140 | |
| A | ILE319 | |
| B | LEU140 | |
| B | ILE319 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 2 |
| Details | MOD_RES: N6-(pyridoxal phosphate)lysine => ECO:0000269|PubMed:15683232 |
| Chain | Residue | Details |
| A | VAL42 | |
| B | VAL42 |
