5A0Y
METHYL-COENZYME M REDUCTASE FROM METHANOTHERMOBACTER MARBURGENSIS AT 1.1 A RESOLUTION
Functional Information from GO Data
Chain | GOid | namespace | contents |
A | 0005737 | cellular_component | cytoplasm |
A | 0015948 | biological_process | methanogenesis |
A | 0016740 | molecular_function | transferase activity |
A | 0046872 | molecular_function | metal ion binding |
A | 0050524 | molecular_function | coenzyme-B sulfoethylthiotransferase activity |
B | 0005737 | cellular_component | cytoplasm |
B | 0015948 | biological_process | methanogenesis |
B | 0016740 | molecular_function | transferase activity |
B | 0050524 | molecular_function | coenzyme-B sulfoethylthiotransferase activity |
C | 0005737 | cellular_component | cytoplasm |
C | 0015948 | biological_process | methanogenesis |
C | 0016740 | molecular_function | transferase activity |
C | 0050524 | molecular_function | coenzyme-B sulfoethylthiotransferase activity |
D | 0005737 | cellular_component | cytoplasm |
D | 0015948 | biological_process | methanogenesis |
D | 0016740 | molecular_function | transferase activity |
D | 0046872 | molecular_function | metal ion binding |
D | 0050524 | molecular_function | coenzyme-B sulfoethylthiotransferase activity |
E | 0005737 | cellular_component | cytoplasm |
E | 0015948 | biological_process | methanogenesis |
E | 0016740 | molecular_function | transferase activity |
E | 0050524 | molecular_function | coenzyme-B sulfoethylthiotransferase activity |
F | 0005737 | cellular_component | cytoplasm |
F | 0015948 | biological_process | methanogenesis |
F | 0016740 | molecular_function | transferase activity |
F | 0050524 | molecular_function | coenzyme-B sulfoethylthiotransferase activity |
Functional Information from PDB Data
site_id | AC1 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE MG A 551 |
Chain | Residue |
A | HOH2281 |
A | HOH2285 |
A | HOH2670 |
site_id | AC2 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE MG A 553 |
Chain | Residue |
A | HOH2617 |
A | HOH2619 |
A | HOH2621 |
A | HOH2631 |
A | HOH2671 |
A | HOH2672 |
site_id | AC3 |
Number of Residues | 39 |
Details | BINDING SITE FOR RESIDUE F43 A 554 |
Chain | Residue |
A | ALA144 |
A | VAL145 |
A | VAL146 |
A | GLN147 |
A | GLN230 |
A | MET233 |
A | ALA243 |
A | HOH2290 |
A | HOH2294 |
A | HOH2295 |
A | HOH2297 |
A | HOH2410 |
A | HOH2673 |
A | HOH2674 |
A | HOH2675 |
D | GLY326 |
D | GLY327 |
D | VAL328 |
D | GLY329 |
D | PHE330 |
D | THR331 |
D | GLN332 |
D | TYR333 |
D | PHE396 |
D | GLY397 |
D | GLY442 |
D | PHE443 |
D | COM555 |
E | SER365 |
E | ILE366 |
E | TYR367 |
F | LEU117 |
F | SER118 |
F | GLY119 |
F | LYS153 |
F | SER154 |
F | VAL155 |
F | HIS156 |
F | HIS158 |
site_id | AC4 |
Number of Residues | 10 |
Details | BINDING SITE FOR RESIDUE COM A 555 |
Chain | Residue |
A | TYR333 |
A | PHE443 |
A | TYR444 |
A | HOH2677 |
B | PHE361 |
B | SER365 |
B | TYR367 |
C | LEU117 |
C | ARG120 |
D | F43552 |
site_id | AC5 |
Number of Residues | 23 |
Details | BINDING SITE FOR RESIDUE TP7 A 557 |
Chain | Residue |
A | ARG270 |
A | LEU320 |
A | MET324 |
A | SER325 |
A | PHE330 |
A | PHE443 |
A | MET480 |
A | ASN481 |
A | VAL482 |
A | HOH2449 |
A | HOH2456 |
A | HOH2601 |
A | HOH2678 |
A | HOH2680 |
A | HOH2681 |
B | PHE362 |
B | TYR367 |
B | GLY369 |
B | HIS379 |
B | ILE380 |
D | ARG225 |
D | LYS256 |
D | MHS257 |
site_id | AC6 |
Number of Residues | 8 |
Details | BINDING SITE FOR RESIDUE K A 561 |
Chain | Residue |
A | ARG102 |
A | SER215 |
A | ARG216 |
A | CYS218 |
D | ARG102 |
D | SER215 |
D | ARG216 |
D | CYS218 |
site_id | AC7 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE MG A 562 |
Chain | Residue |
A | HOH2149 |
A | HOH2152 |
A | HOH2682 |
A | HOH2684 |
A | HOH2685 |
B | ASN441 |
site_id | AC8 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE MG A 563 |
Chain | Residue |
A | HOH2036 |
A | HOH2050 |
A | LYS11 |
A | PHE14 |
A | HOH2034 |
A | HOH2035 |
site_id | AC9 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE NA A 564 |
Chain | Residue |
A | PRO58 |
A | ILE60 |
A | THR62 |
A | HOH2161 |
A | HOH2169 |
A | HOH2178 |
site_id | BC1 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE CL A 565 |
Chain | Residue |
A | SER237 |
A | HOH2403 |
F | LYS153 |
site_id | BC2 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE MG B 444 |
Chain | Residue |
B | HOH2400 |
B | HOH2401 |
B | HOH2550 |
B | HOH2551 |
B | HOH2552 |
site_id | BC3 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE MG B 445 |
Chain | Residue |
B | ASP271 |
B | HOH2409 |
B | HOH2423 |
B | HOH2426 |
B | HOH2427 |
B | HOH2553 |
site_id | BC4 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE MG C 250 |
Chain | Residue |
C | GLU30 |
C | HOH2066 |
C | HOH2067 |
C | HOH2076 |
C | HOH2182 |
F | HOH2054 |
site_id | BC5 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE MG C 251 |
Chain | Residue |
C | HOH2256 |
C | HOH2264 |
C | HOH2285 |
C | HOH2286 |
C | HOH2287 |
site_id | BC6 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE MG D 551 |
Chain | Residue |
D | HOH2533 |
D | HOH2535 |
D | HOH2536 |
D | HOH2546 |
D | HOH2569 |
E | HOH2194 |
site_id | BC7 |
Number of Residues | 41 |
Details | BINDING SITE FOR RESIDUE F43 D 552 |
Chain | Residue |
A | GLY326 |
A | GLY327 |
A | VAL328 |
A | GLY329 |
A | PHE330 |
A | THR331 |
A | GLN332 |
A | TYR333 |
A | PHE396 |
A | GLY397 |
A | GLY442 |
A | PHE443 |
A | COM555 |
A | HOH2496 |
A | HOH2553 |
B | SER365 |
B | ILE366 |
B | TYR367 |
C | LEU117 |
C | SER118 |
C | GLY119 |
C | ARG120 |
C | LYS153 |
C | SER154 |
C | VAL155 |
C | HIS156 |
C | HIS158 |
C | HOH2155 |
C | HOH2171 |
C | HOH2172 |
C | HOH2200 |
C | HOH2201 |
C | HOH2202 |
D | ALA144 |
D | VAL145 |
D | VAL146 |
D | GLN147 |
D | GLN230 |
D | MET233 |
D | ALA243 |
D | HOH2270 |
site_id | BC8 |
Number of Residues | 10 |
Details | BINDING SITE FOR RESIDUE COM D 555 |
Chain | Residue |
A | F43554 |
A | HOH2412 |
D | TYR333 |
D | PHE443 |
D | TYR444 |
E | PHE361 |
E | SER365 |
E | TYR367 |
F | LEU117 |
F | ARG120 |
site_id | BC9 |
Number of Residues | 23 |
Details | BINDING SITE FOR RESIDUE TP7 D 556 |
Chain | Residue |
A | ARG225 |
A | LYS256 |
A | MHS257 |
A | HOH2425 |
D | ARG270 |
D | LEU320 |
D | MET324 |
D | SER325 |
D | PHE330 |
D | PHE443 |
D | MET480 |
D | ASN481 |
D | VAL482 |
D | HOH2378 |
D | HOH2385 |
D | HOH2517 |
D | HOH2570 |
D | HOH2571 |
E | PHE362 |
E | TYR367 |
E | GLY369 |
E | HIS379 |
E | ILE380 |
site_id | CC1 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE MG D 557 |
Chain | Residue |
D | LYS11 |
D | PHE14 |
D | HOH2037 |
D | HOH2038 |
D | HOH2039 |
D | HOH2053 |
site_id | CC2 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE NA D 558 |
Chain | Residue |
A | HOH2288 |
A | HOH2291 |
D | PRO58 |
D | ILE60 |
D | THR62 |
D | HOH2178 |
site_id | CC3 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE CL D 559 |
Chain | Residue |
D | ASN296 |
D | GLU298 |
D | ASP299 |
D | HOH2393 |
D | HOH2396 |
D | HOH2401 |
site_id | CC4 |
Number of Residues | 2 |
Details | BINDING SITE FOR RESIDUE MG D 560 |
Chain | Residue |
D | GLU175 |
D | HOH2302 |
site_id | CC5 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE MG E 444 |
Chain | Residue |
E | HOH2360 |
E | HOH2361 |
E | HOH2438 |
E | HOH2439 |
site_id | CC6 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE MG E 445 |
Chain | Residue |
E | ASP147 |
E | HOH2240 |
E | HOH2241 |
E | HOH2242 |
E | HOH2440 |
site_id | CC7 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE MG E 446 |
Chain | Residue |
E | HOH2255 |
E | HOH2283 |
E | HOH2441 |
E | HOH2442 |
E | HOH2443 |
E | HOH2444 |
site_id | CC8 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE MG F 250 |
Chain | Residue |
C | HOH2064 |
F | GLU30 |
F | HOH2055 |
F | HOH2056 |
F | HOH2067 |
F | HOH2156 |
site_id | CC9 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE MG F 251 |
Chain | Residue |
F | HOH2248 |
F | HOH2249 |
F | HOH2250 |
F | HOH2251 |
F | HOH2253 |
F | HOH2254 |
Functional Information from SwissProt/UniProt
site_id | SWS_FT_FI1 |
Number of Residues | 2 |
Details | BINDING: BINDING => ECO:0000269|PubMed:11491299, ECO:0000269|PubMed:20707311, ECO:0000269|PubMed:21438550, ECO:0000269|PubMed:27467699, ECO:0007744|PDB:1HBN, ECO:0007744|PDB:3M1V, ECO:0007744|PDB:3POT, ECO:0007744|PDB:5A0Y |
Chain | Residue | Details |
C | ARG120 | |
F | ARG120 |
site_id | SWS_FT_FI2 |
Number of Residues | 2 |
Details | BINDING: BINDING => ECO:0000269|PubMed:11491299, ECO:0000269|PubMed:20707311, ECO:0000269|PubMed:21438550, ECO:0000269|PubMed:27140643, ECO:0000269|PubMed:27467699, ECO:0000269|PubMed:9367957, ECO:0007744|PDB:1HBN, ECO:0007744|PDB:1MRO, ECO:0007744|PDB:3M1V, ECO:0007744|PDB:3POT, ECO:0007744|PDB:5A0Y, ECO:0007744|PDB:5G0R |
Chain | Residue | Details |
B | GLY369 | |
E | GLY369 | |
D | ARG225 | |
D | LYS256 |
site_id | SWS_FT_FI3 |
Number of Residues | 2 |
Details | BINDING: in chain B => ECO:0000269|PubMed:11491299, ECO:0000269|PubMed:20707311, ECO:0000269|PubMed:21438550, ECO:0000269|PubMed:27140643, ECO:0000269|PubMed:27467699, ECO:0000269|PubMed:9367957, ECO:0007744|PDB:1HBN, ECO:0007744|PDB:1MRO, ECO:0007744|PDB:3M1V, ECO:0007744|PDB:3POT, ECO:0007744|PDB:5A0Y, ECO:0007744|PDB:5G0R |
Chain | Residue | Details |
A | ARG270 | |
D | ARG270 |
site_id | SWS_FT_FI4 |
Number of Residues | 4 |
Details | BINDING: BINDING => ECO:0000269|PubMed:11491299, ECO:0000269|PubMed:20707311, ECO:0000269|PubMed:21438550, ECO:0000269|PubMed:27467699, ECO:0000269|PubMed:9367957, ECO:0007744|PDB:1HBN, ECO:0007744|PDB:1MRO, ECO:0007744|PDB:3M1V, ECO:0007744|PDB:3POT, ECO:0007744|PDB:5A0Y |
Chain | Residue | Details |
A | TYR333 | |
A | TYR444 | |
D | TYR333 | |
D | TYR444 |
site_id | SWS_FT_FI5 |
Number of Residues | 2 |
Details | MOD_RES: Pros-methylhistidine => ECO:0000269|PubMed:10660523, ECO:0000269|PubMed:11491299, ECO:0000269|PubMed:20707311, ECO:0000269|PubMed:21438550, ECO:0000269|PubMed:27467699, ECO:0000269|PubMed:9367957 |
Chain | Residue | Details |
A | MHS257 | |
D | MHS257 |
site_id | SWS_FT_FI6 |
Number of Residues | 2 |
Details | MOD_RES: 5-methylarginine => ECO:0000269|PubMed:10660523, ECO:0000269|PubMed:11491299, ECO:0000269|PubMed:20707311, ECO:0000269|PubMed:21438550, ECO:0000269|PubMed:27467699, ECO:0000269|PubMed:9367957 |
Chain | Residue | Details |
A | AGM271 | |
D | AGM271 |
site_id | SWS_FT_FI7 |
Number of Residues | 2 |
Details | MOD_RES: 2-methylglutamine => ECO:0000269|PubMed:10660523, ECO:0000269|PubMed:11491299, ECO:0000269|PubMed:20707311, ECO:0000269|PubMed:21438550, ECO:0000269|PubMed:27467699, ECO:0000269|PubMed:9367957 |
Chain | Residue | Details |
A | MGN400 | |
D | MGN400 |
site_id | SWS_FT_FI8 |
Number of Residues | 2 |
Details | MOD_RES: 1-thioglycine => ECO:0000269|PubMed:10660523, ECO:0000269|PubMed:11491299, ECO:0000269|PubMed:20707311, ECO:0000269|PubMed:21438550, ECO:0000269|PubMed:27467699, ECO:0000269|PubMed:9367957 |
Chain | Residue | Details |
A | GL3445 | |
D | GL3445 |
site_id | SWS_FT_FI9 |
Number of Residues | 2 |
Details | MOD_RES: (Z)-2,3-didehydroaspartate => ECO:0000269|PubMed:27467699 |
Chain | Residue | Details |
A | DYA450 | |
D | DYA450 |
site_id | SWS_FT_FI10 |
Number of Residues | 2 |
Details | MOD_RES: S-methylcysteine => ECO:0000269|PubMed:10660523, ECO:0000269|PubMed:11491299, ECO:0000269|PubMed:20707311, ECO:0000269|PubMed:21438550, ECO:0000269|PubMed:27467699, ECO:0000269|PubMed:9367957 |
Chain | Residue | Details |
A | SMC452 | |
D | SMC452 |
Catalytic Information from CSA
site_id | MCSA1 |
Number of Residues | 1 |
Details | M-CSA 156 |
Chain | Residue | Details |
B | TYR367 | electrostatic stabiliser, proton acceptor, proton donor, proton relay, radical stabiliser |
A | TYR333 | electrostatic stabiliser, radical stabiliser |
A | GL3445 | single electron acceptor, single electron donor, single electron relay |
A | ASN481 | activator, electrostatic stabiliser, proton acceptor, proton donor, proton relay |
site_id | MCSA2 |
Number of Residues | 1 |
Details | M-CSA 156 |
Chain | Residue | Details |
E | TYR367 | electrostatic stabiliser, proton acceptor, proton donor, proton relay, radical stabiliser |
D | TYR333 | electrostatic stabiliser, radical stabiliser |
D | GL3445 | single electron acceptor, single electron donor, single electron relay |
D | ASN481 | activator, electrostatic stabiliser, proton acceptor, proton donor, proton relay |