4XQ2
Ensemble refinement of cystathione gamma lyase (CalE6) D7G from Micromonospora echinospora
Functional Information from GO Data
Chain | GOid | namespace | contents |
A | 0005737 | cellular_component | cytoplasm |
A | 0016846 | molecular_function | carbon-sulfur lyase activity |
A | 0019346 | biological_process | transsulfuration |
A | 0030170 | molecular_function | pyridoxal phosphate binding |
B | 0005737 | cellular_component | cytoplasm |
B | 0016846 | molecular_function | carbon-sulfur lyase activity |
B | 0019346 | biological_process | transsulfuration |
B | 0030170 | molecular_function | pyridoxal phosphate binding |
C | 0005737 | cellular_component | cytoplasm |
C | 0016846 | molecular_function | carbon-sulfur lyase activity |
C | 0019346 | biological_process | transsulfuration |
C | 0030170 | molecular_function | pyridoxal phosphate binding |
D | 0005737 | cellular_component | cytoplasm |
D | 0016846 | molecular_function | carbon-sulfur lyase activity |
D | 0019346 | biological_process | transsulfuration |
D | 0030170 | molecular_function | pyridoxal phosphate binding |
E | 0005737 | cellular_component | cytoplasm |
E | 0016846 | molecular_function | carbon-sulfur lyase activity |
E | 0019346 | biological_process | transsulfuration |
E | 0030170 | molecular_function | pyridoxal phosphate binding |
F | 0005737 | cellular_component | cytoplasm |
F | 0016846 | molecular_function | carbon-sulfur lyase activity |
F | 0019346 | biological_process | transsulfuration |
F | 0030170 | molecular_function | pyridoxal phosphate binding |
G | 0005737 | cellular_component | cytoplasm |
G | 0016846 | molecular_function | carbon-sulfur lyase activity |
G | 0019346 | biological_process | transsulfuration |
G | 0030170 | molecular_function | pyridoxal phosphate binding |
H | 0005737 | cellular_component | cytoplasm |
H | 0016846 | molecular_function | carbon-sulfur lyase activity |
H | 0019346 | biological_process | transsulfuration |
H | 0030170 | molecular_function | pyridoxal phosphate binding |
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 |