4XQ2
Ensemble refinement of cystathione gamma lyase (CalE6) D7G from Micromonospora echinospora
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0003824 | molecular_function | catalytic activity |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0016846 | molecular_function | carbon-sulfur lyase activity |
| A | 0018826 | molecular_function | methionine gamma-lyase activity |
| A | 0019346 | biological_process | transsulfuration |
| A | 0030170 | molecular_function | pyridoxal phosphate binding |
| A | 0047982 | molecular_function | homocysteine desulfhydrase activity |
| B | 0003824 | molecular_function | catalytic activity |
| B | 0005737 | cellular_component | cytoplasm |
| B | 0016846 | molecular_function | carbon-sulfur lyase activity |
| B | 0018826 | molecular_function | methionine gamma-lyase activity |
| B | 0019346 | biological_process | transsulfuration |
| B | 0030170 | molecular_function | pyridoxal phosphate binding |
| B | 0047982 | molecular_function | homocysteine desulfhydrase activity |
| C | 0003824 | molecular_function | catalytic activity |
| C | 0005737 | cellular_component | cytoplasm |
| C | 0016846 | molecular_function | carbon-sulfur lyase activity |
| C | 0018826 | molecular_function | methionine gamma-lyase activity |
| C | 0019346 | biological_process | transsulfuration |
| C | 0030170 | molecular_function | pyridoxal phosphate binding |
| C | 0047982 | molecular_function | homocysteine desulfhydrase activity |
| D | 0003824 | molecular_function | catalytic activity |
| D | 0005737 | cellular_component | cytoplasm |
| D | 0016846 | molecular_function | carbon-sulfur lyase activity |
| D | 0018826 | molecular_function | methionine gamma-lyase activity |
| D | 0019346 | biological_process | transsulfuration |
| D | 0030170 | molecular_function | pyridoxal phosphate binding |
| D | 0047982 | molecular_function | homocysteine desulfhydrase activity |
| E | 0003824 | molecular_function | catalytic activity |
| E | 0005737 | cellular_component | cytoplasm |
| E | 0016846 | molecular_function | carbon-sulfur lyase activity |
| E | 0018826 | molecular_function | methionine gamma-lyase activity |
| E | 0019346 | biological_process | transsulfuration |
| E | 0030170 | molecular_function | pyridoxal phosphate binding |
| E | 0047982 | molecular_function | homocysteine desulfhydrase activity |
| F | 0003824 | molecular_function | catalytic activity |
| F | 0005737 | cellular_component | cytoplasm |
| F | 0016846 | molecular_function | carbon-sulfur lyase activity |
| F | 0018826 | molecular_function | methionine gamma-lyase activity |
| F | 0019346 | biological_process | transsulfuration |
| F | 0030170 | molecular_function | pyridoxal phosphate binding |
| F | 0047982 | molecular_function | homocysteine desulfhydrase activity |
| G | 0003824 | molecular_function | catalytic activity |
| G | 0005737 | cellular_component | cytoplasm |
| G | 0016846 | molecular_function | carbon-sulfur lyase activity |
| G | 0018826 | molecular_function | methionine gamma-lyase activity |
| G | 0019346 | biological_process | transsulfuration |
| G | 0030170 | molecular_function | pyridoxal phosphate binding |
| G | 0047982 | molecular_function | homocysteine desulfhydrase activity |
| H | 0003824 | molecular_function | catalytic activity |
| H | 0005737 | cellular_component | cytoplasm |
| H | 0016846 | molecular_function | carbon-sulfur lyase activity |
| H | 0018826 | molecular_function | methionine gamma-lyase activity |
| H | 0019346 | biological_process | transsulfuration |
| H | 0030170 | molecular_function | pyridoxal phosphate binding |
| H | 0047982 | molecular_function | homocysteine desulfhydrase activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 10 |
| Details | binding site for residue MES A 401 |
| Chain | Residue |
| A | TYR100 |
| B | ARG48 |
| A | LLP197 |
| A | VAL322 |
| A | SER323 |
| A | LEU324 |
| A | ARG358 |
| A | HOH567 |
| A | HOH635 |
| B | TYR46 |
| site_id | AC2 |
| Number of Residues | 2 |
| Details | binding site for residue GOL A 402 |
| Chain | Residue |
| A | ARG168 |
| A | ASP216 |
| site_id | AC3 |
| Number of Residues | 5 |
| Details | binding site for residue GOL A 403 |
| Chain | Residue |
| A | PRO17 |
| A | SER18 |
| A | PRO27 |
| A | HIS29 |
| A | GLU56 |
| site_id | AC4 |
| Number of Residues | 2 |
| Details | binding site for residue GOL A 404 |
| Chain | Residue |
| A | LEU184 |
| A | ARG213 |
| site_id | AC5 |
| Number of Residues | 1 |
| Details | binding site for residue CL A 405 |
| Chain | Residue |
| A | ARG168 |
| site_id | AC6 |
| Number of Residues | 2 |
| Details | binding site for residue CL A 406 |
| Chain | Residue |
| A | MSE337 |
| B | ARG36 |
| site_id | AC7 |
| Number of Residues | 9 |
| Details | binding site for residue MES B 401 |
| Chain | Residue |
| A | TYR46 |
| B | TYR100 |
| B | LLP197 |
| B | VAL322 |
| B | SER323 |
| B | LEU324 |
| B | THR338 |
| B | ARG358 |
| B | GOL408 |
| site_id | AC8 |
| Number of Residues | 6 |
| Details | binding site for residue GOL B 402 |
| Chain | Residue |
| B | ARG253 |
| B | GLU364 |
| B | ASP365 |
| B | PRO366 |
| C | GLY7 |
| C | SER248 |
| site_id | AC9 |
| Number of Residues | 5 |
| Details | binding site for residue GOL B 403 |
| Chain | Residue |
| B | GLU65 |
| B | ARG66 |
| B | LEU184 |
| B | ALA185 |
| B | ARG213 |
| site_id | AD1 |
| Number of Residues | 2 |
| Details | binding site for residue GOL B 404 |
| Chain | Residue |
| A | ALA101 |
| B | THR227 |
| site_id | AD2 |
| Number of Residues | 5 |
| Details | binding site for residue GOL B 405 |
| Chain | Residue |
| B | ARG16 |
| B | SER18 |
| B | PRO26 |
| B | HIS29 |
| B | GLU56 |
| site_id | AD3 |
| Number of Residues | 5 |
| Details | binding site for residue GOL B 406 |
| Chain | Residue |
| B | VAL274 |
| B | HIS275 |
| B | TYR276 |
| B | GLU281 |
| B | HIS282 |
| site_id | AD4 |
| Number of Residues | 4 |
| Details | binding site for residue GOL B 407 |
| Chain | Residue |
| B | HIS163 |
| B | GLY166 |
| B | ALA167 |
| B | ASP189 |
| site_id | AD5 |
| Number of Residues | 5 |
| Details | binding site for residue GOL B 408 |
| Chain | Residue |
| A | ARG48 |
| A | THR227 |
| B | ALA101 |
| B | GLY102 |
| B | MES401 |
| site_id | AD6 |
| Number of Residues | 1 |
| Details | binding site for residue CL B 409 |
| Chain | Residue |
| B | HOH583 |
| site_id | AD7 |
| Number of Residues | 6 |
| Details | binding site for residue MES C 401 |
| Chain | Residue |
| C | TYR100 |
| C | SER323 |
| C | LEU324 |
| C | ARG358 |
| D | TYR46 |
| D | ARG48 |
| site_id | AD8 |
| Number of Residues | 4 |
| Details | binding site for residue GOL C 402 |
| Chain | Residue |
| C | ARG66 |
| C | LEU184 |
| C | ALA185 |
| C | ARG213 |
| site_id | AD9 |
| Number of Residues | 4 |
| Details | binding site for residue FMT C 403 |
| Chain | Residue |
| C | LEU86 |
| C | ARG168 |
| C | LEU217 |
| C | ALA220 |
| site_id | AE1 |
| Number of Residues | 3 |
| Details | binding site for residue CL C 405 |
| Chain | Residue |
| C | ARG112 |
| D | ARG88 |
| G | ASP136 |
| site_id | AE2 |
| Number of Residues | 10 |
| Details | binding site for residue MES D 401 |
| Chain | Residue |
| C | TYR46 |
| C | ARG48 |
| D | TYR100 |
| D | LLP197 |
| D | SER323 |
| D | LEU324 |
| D | THR338 |
| D | ARG358 |
| D | HOH568 |
| D | HOH624 |
| site_id | AE3 |
| Number of Residues | 3 |
| Details | binding site for residue GOL D 402 |
| Chain | Residue |
| D | GLU65 |
| D | ARG66 |
| D | ALA67 |
| site_id | AE4 |
| Number of Residues | 2 |
| Details | binding site for residue GOL D 403 |
| Chain | Residue |
| D | THR226 |
| D | THR227 |
| site_id | AE5 |
| Number of Residues | 3 |
| Details | binding site for residue GOL D 404 |
| Chain | Residue |
| D | LEU86 |
| D | ARG168 |
| D | ASP216 |
| site_id | AE6 |
| Number of Residues | 1 |
| Details | binding site for residue CL D 405 |
| Chain | Residue |
| D | ARG168 |
| site_id | AE7 |
| Number of Residues | 2 |
| Details | binding site for residue CL D 406 |
| Chain | Residue |
| D | MSE292 |
| D | SER293 |
| site_id | AE8 |
| Number of Residues | 10 |
| Details | binding site for residue MES E 401 |
| Chain | Residue |
| E | TYR100 |
| E | ASN147 |
| E | SER323 |
| E | GLU332 |
| E | ARG358 |
| E | HOH558 |
| E | HOH594 |
| F | TYR46 |
| F | ARG48 |
| F | GOL406 |
| site_id | AE9 |
| Number of Residues | 6 |
| Details | binding site for residue GOL E 402 |
| Chain | Residue |
| E | GLU65 |
| E | ARG66 |
| E | LEU184 |
| E | ALA185 |
| E | ARG213 |
| E | HOH543 |
| site_id | AF1 |
| Number of Residues | 2 |
| Details | binding site for residue GOL E 403 |
| Chain | Residue |
| E | LEU86 |
| E | ARG168 |
| site_id | AF2 |
| Number of Residues | 2 |
| Details | binding site for residue CL E 404 |
| Chain | Residue |
| E | ARG168 |
| E | ASP214 |
| site_id | AF3 |
| Number of Residues | 9 |
| Details | binding site for residue MES F 401 |
| Chain | Residue |
| E | TYR46 |
| F | TYR100 |
| F | LLP197 |
| F | VAL322 |
| F | SER323 |
| F | LEU324 |
| F | ARG358 |
| F | GOL402 |
| F | HOH560 |
| site_id | AF4 |
| Number of Residues | 5 |
| Details | binding site for residue GOL F 402 |
| Chain | Residue |
| E | ARG48 |
| E | THR227 |
| F | ALA101 |
| F | GLY102 |
| F | MES401 |
| site_id | AF5 |
| Number of Residues | 1 |
| Details | binding site for residue GOL F 403 |
| Chain | Residue |
| F | ARG168 |
| site_id | AF6 |
| Number of Residues | 4 |
| Details | binding site for residue GOL F 404 |
| Chain | Residue |
| F | LEU249 |
| F | HIS252 |
| F | HOH601 |
| G | ARG253 |
| site_id | AF7 |
| Number of Residues | 3 |
| Details | binding site for residue GOL F 405 |
| Chain | Residue |
| F | ARG253 |
| G | LEU249 |
| G | HIS252 |
| site_id | AF8 |
| Number of Residues | 6 |
| Details | binding site for residue GOL F 406 |
| Chain | Residue |
| E | TYR100 |
| E | MES401 |
| F | ARG48 |
| F | THR226 |
| F | THR227 |
| F | HOH672 |
| site_id | AF9 |
| Number of Residues | 3 |
| Details | binding site for residue GOL F 407 |
| Chain | Residue |
| F | GLU65 |
| F | ARG213 |
| F | HOH575 |
| site_id | AG1 |
| Number of Residues | 3 |
| Details | binding site for residue FMT F 408 |
| Chain | Residue |
| F | PRO68 |
| F | PHE69 |
| F | ALA70 |
| site_id | AG2 |
| Number of Residues | 1 |
| Details | binding site for residue CL F 409 |
| Chain | Residue |
| F | ASP189 |
| site_id | AG3 |
| Number of Residues | 10 |
| Details | binding site for residue MES G 401 |
| Chain | Residue |
| G | TYR100 |
| G | LLP197 |
| G | SER323 |
| G | LEU324 |
| G | THR338 |
| G | ARG358 |
| G | HOH539 |
| G | HOH590 |
| H | TYR46 |
| H | ARG48 |
| site_id | AG4 |
| Number of Residues | 5 |
| Details | binding site for residue GOL G 402 |
| Chain | Residue |
| G | GLU65 |
| G | ARG66 |
| G | LEU184 |
| G | ARG213 |
| G | HOH569 |
| site_id | AG5 |
| Number of Residues | 4 |
| Details | binding site for residue GOL G 403 |
| Chain | Residue |
| G | ARG48 |
| G | THR227 |
| H | TYR100 |
| H | GLY102 |
| site_id | AG6 |
| Number of Residues | 5 |
| Details | binding site for residue GOL G 404 |
| Chain | Residue |
| D | GLU281 |
| G | ARG36 |
| G | ARG37 |
| G | HOH685 |
| H | GLU309 |
| site_id | AG7 |
| Number of Residues | 1 |
| Details | binding site for residue GOL G 405 |
| Chain | Residue |
| G | ALA290 |
| site_id | AG8 |
| Number of Residues | 3 |
| Details | binding site for residue FMT G 406 |
| Chain | Residue |
| G | LEU86 |
| G | ARG168 |
| G | LEU217 |
| site_id | AG9 |
| Number of Residues | 2 |
| Details | binding site for residue CL G 407 |
| Chain | Residue |
| G | ARG168 |
| G | ASP189 |
| site_id | AH1 |
| Number of Residues | 10 |
| Details | binding site for residue MES H 401 |
| Chain | Residue |
| G | TYR46 |
| H | TYR100 |
| H | LLP197 |
| H | VAL322 |
| H | SER323 |
| H | LEU324 |
| H | THR338 |
| H | ARG358 |
| H | HOH540 |
| H | HOH655 |
| site_id | AH2 |
| Number of Residues | 3 |
| Details | binding site for residue GOL H 402 |
| Chain | Residue |
| H | LEU184 |
| H | ALA185 |
| H | ARG213 |
| site_id | AH3 |
| Number of Residues | 2 |
| Details | binding site for residue GOL H 403 |
| Chain | Residue |
| H | LEU86 |
| H | ARG168 |
| site_id | AH4 |
| Number of Residues | 1 |
| Details | binding site for residue CL H 404 |
| Chain | Residue |
| H | ARG168 |
| site_id | AH5 |
| Number of Residues | 1 |
| Details | binding site for residue CL H 405 |
| Chain | Residue |
| H | MSE337 |
Functional Information from PROSITE/UniProt
| site_id | PS00211 |
| Number of Residues | 15 |
| Details | ABC_TRANSPORTER_1 ABC transporters family signature. FSSGQAAAATLLSLV |
| Chain | Residue | Details |
| A | PHE73-VAL87 |
