3SQG
Crystal structure of a methyl-coenzyme M reductase purified from Black Sea mats
Functional Information from GO Data
Chain | GOid | namespace | contents |
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 | 0015948 | biological_process | methanogenesis |
B | 0016740 | molecular_function | transferase activity |
B | 0050524 | molecular_function | coenzyme-B sulfoethylthiotransferase activity |
C | 0015948 | biological_process | methanogenesis |
C | 0016740 | molecular_function | transferase activity |
C | 0050524 | molecular_function | coenzyme-B sulfoethylthiotransferase activity |
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 | 0015948 | biological_process | methanogenesis |
E | 0016740 | molecular_function | transferase activity |
E | 0050524 | molecular_function | coenzyme-B sulfoethylthiotransferase activity |
F | 0015948 | biological_process | methanogenesis |
F | 0016740 | molecular_function | transferase activity |
F | 0050524 | molecular_function | coenzyme-B sulfoethylthiotransferase activity |
G | 0015948 | biological_process | methanogenesis |
G | 0016740 | molecular_function | transferase activity |
G | 0046872 | molecular_function | metal ion binding |
G | 0050524 | molecular_function | coenzyme-B sulfoethylthiotransferase activity |
H | 0015948 | biological_process | methanogenesis |
H | 0016740 | molecular_function | transferase activity |
H | 0050524 | molecular_function | coenzyme-B sulfoethylthiotransferase activity |
I | 0015948 | biological_process | methanogenesis |
I | 0016740 | molecular_function | transferase activity |
I | 0050524 | molecular_function | coenzyme-B sulfoethylthiotransferase activity |
Functional Information from PDB Data
site_id | AC1 |
Number of Residues | 22 |
Details | BINDING SITE FOR RESIDUE TP7 A 1002 |
Chain | Residue |
A | LYS284 |
A | HOH652 |
A | HOH748 |
A | HOH908 |
B | PHE358 |
B | TYR363 |
B | GLY364 |
B | GLY365 |
B | HIS375 |
B | VAL377 |
B | HOH452 |
A | PHE334 |
D | ARG239 |
D | LYS270 |
D | MHS271 |
A | MET338 |
A | PHE344 |
A | PHE462 |
A | MHO499 |
A | ASN500 |
A | VAL501 |
A | HOH597 |
site_id | AC2 |
Number of Residues | 8 |
Details | BINDING SITE FOR RESIDUE COM A 1003 |
Chain | Residue |
A | TYR347 |
A | PHE462 |
A | PHE463 |
B | PHE357 |
B | TYR363 |
C | LEU117 |
C | ARG120 |
D | M431001 |
site_id | AC3 |
Number of Residues | 40 |
Details | BINDING SITE FOR RESIDUE M43 A 1001 |
Chain | Residue |
A | ALA152 |
A | VAL153 |
A | ILE154 |
A | GLN155 |
A | MET158 |
A | GLN244 |
A | MET247 |
A | ALA257 |
A | HOH638 |
A | HOH647 |
A | HOH650 |
A | HOH660 |
A | HOH670 |
A | HOH698 |
A | HOH782 |
D | GLY340 |
D | VAL342 |
D | GLY343 |
D | PHE344 |
D | THR345 |
D | GLN346 |
D | TYR347 |
D | PHE415 |
D | GLY416 |
D | GLY461 |
D | PHE462 |
D | COM1003 |
E | SER361 |
E | ILE362 |
E | TYR363 |
F | LEU117 |
F | SER118 |
F | GLY119 |
F | ARG153 |
F | THR154 |
F | VAL155 |
F | HIS156 |
F | GLY157 |
F | HIS158 |
F | HOH380 |
site_id | AC4 |
Number of Residues | 20 |
Details | BINDING SITE FOR RESIDUE TP7 A 580 |
Chain | Residue |
A | ARG239 |
A | LYS270 |
A | MHS271 |
A | HOH612 |
A | HOH615 |
A | HOH668 |
A | HOH680 |
A | HOH716 |
D | LYS284 |
D | PHE334 |
D | MET338 |
D | PHE344 |
D | PHE462 |
D | MHO499 |
D | ASN500 |
E | TYR363 |
E | GLY364 |
E | GLY365 |
E | HIS375 |
E | VAL377 |
site_id | AC5 |
Number of Residues | 12 |
Details | BINDING SITE FOR RESIDUE 1PE A 581 |
Chain | Residue |
C | ARG161 |
D | VAL58 |
D | ASN59 |
A | ASP16 |
A | PHE18 |
A | ALA19 |
A | GLU20 |
A | THR27 |
A | TYR32 |
A | TYR76 |
A | ARG186 |
A | PGE582 |
site_id | AC6 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE PGE A 582 |
Chain | Residue |
A | THR31 |
A | TYR32 |
A | 1PE581 |
site_id | AC7 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE PGE A 583 |
Chain | Residue |
A | LYS38 |
A | PRO79 |
A | MET88 |
A | ASN90 |
A | ASN553 |
D | VAL58 |
site_id | AC8 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE SO4 A 584 |
Chain | Residue |
A | GLU20 |
A | LYS21 |
A | SER24 |
site_id | AC9 |
Number of Residues | 2 |
Details | BINDING SITE FOR RESIDUE SO4 A 585 |
Chain | Residue |
A | LYS130 |
A | GLU131 |
site_id | BC1 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE CL A 586 |
Chain | Residue |
A | HIS121 |
A | TYR140 |
A | TYR253 |
site_id | BC2 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE CA A 587 |
Chain | Residue |
A | ALA229 |
A | ARG230 |
A | THR232 |
D | ALA229 |
D | ARG230 |
D | THR232 |
site_id | BC3 |
Number of Residues | 16 |
Details | BINDING SITE FOR RESIDUE P6G B 434 |
Chain | Residue |
B | GLY166 |
B | LYS171 |
B | MET172 |
B | LEU173 |
B | VAL174 |
B | ASP175 |
B | ASN189 |
B | PRO191 |
B | HIS194 |
B | TYR372 |
B | THR407 |
B | TYR411 |
B | HOH952 |
B | HOH1577 |
B | HOH1691 |
D | TYR267 |
site_id | BC4 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE SO4 B 435 |
Chain | Residue |
B | ALA48 |
B | LYS107 |
B | ARG108 |
site_id | BC5 |
Number of Residues | 2 |
Details | BINDING SITE FOR RESIDUE SO4 B 436 |
Chain | Residue |
B | ARG62 |
B | HOH1902 |
site_id | BC6 |
Number of Residues | 2 |
Details | BINDING SITE FOR RESIDUE GOL C 281 |
Chain | Residue |
C | TYR109 |
C | LYS110 |
site_id | BC7 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE SO4 C 282 |
Chain | Residue |
C | ARG128 |
C | LYS197 |
C | HOH1497 |
site_id | BC8 |
Number of Residues | 39 |
Details | BINDING SITE FOR RESIDUE M43 D 1001 |
Chain | Residue |
A | GLY340 |
A | GLY341 |
A | VAL342 |
A | GLY343 |
A | PHE344 |
A | THR345 |
A | GLN346 |
A | TYR347 |
A | PHE415 |
A | GLY416 |
A | GLY461 |
A | PHE462 |
A | HOH661 |
A | COM1003 |
B | SER361 |
B | ILE362 |
B | TYR363 |
C | LEU117 |
C | SER118 |
C | GLY119 |
C | ARG153 |
C | THR154 |
C | VAL155 |
C | HIS156 |
C | GLY157 |
C | HIS158 |
C | HOH293 |
D | ALA152 |
D | VAL153 |
D | ILE154 |
D | GLN155 |
D | GLN244 |
D | MET247 |
D | ALA257 |
D | HOH593 |
D | HOH615 |
D | HOH635 |
D | HOH641 |
D | HOH688 |
site_id | BC9 |
Number of Residues | 9 |
Details | BINDING SITE FOR RESIDUE COM D 1003 |
Chain | Residue |
A | M431001 |
D | TYR347 |
D | PHE462 |
D | PHE463 |
E | PHE357 |
E | SER361 |
E | TYR363 |
F | LEU117 |
F | ARG120 |
site_id | CC1 |
Number of Residues | 9 |
Details | BINDING SITE FOR RESIDUE 1PE D 580 |
Chain | Residue |
D | ASP16 |
D | PHE18 |
D | ALA19 |
D | GLU20 |
D | TYR76 |
F | ARG161 |
G | VAL58 |
G | ASN59 |
G | ARG186 |
site_id | CC2 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE PGE D 581 |
Chain | Residue |
D | LYS38 |
D | PRO79 |
D | MET88 |
D | ASN90 |
D | ASN553 |
D | HOH1035 |
site_id | CC3 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE PGE D 582 |
Chain | Residue |
D | PRO134 |
D | ASP177 |
D | LEU180 |
D | LYS216 |
D | ILE218 |
site_id | CC4 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE SO4 D 583 |
Chain | Residue |
D | LYS130 |
D | GLU131 |
D | HOH1501 |
site_id | CC5 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE SO4 D 584 |
Chain | Residue |
B | GLY68 |
B | HOH1017 |
D | LYS380 |
D | ASN518 |
site_id | CC6 |
Number of Residues | 11 |
Details | BINDING SITE FOR RESIDUE 1PE E 434 |
Chain | Residue |
A | TYR267 |
E | MET172 |
E | ASP175 |
E | PRO191 |
E | HIS194 |
E | VAL370 |
E | TYR372 |
E | THR407 |
E | TYR411 |
E | HOH1309 |
E | HOH1664 |
site_id | CC7 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE GOL E 435 |
Chain | Residue |
B | ILE118 |
B | SER120 |
E | ILE118 |
site_id | CC8 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE 1PE F 281 |
Chain | Residue |
F | ARG43 |
F | GLY46 |
F | GLU47 |
site_id | CC9 |
Number of Residues | 39 |
Details | BINDING SITE FOR RESIDUE M43 G 1001 |
Chain | Residue |
G | ALA152 |
G | VAL153 |
G | ILE154 |
G | GLN155 |
G | GLN244 |
G | MET247 |
G | ALA257 |
G | GLY340 |
G | VAL342 |
G | GLY343 |
G | PHE344 |
G | THR345 |
G | GLN346 |
G | TYR347 |
G | PHE415 |
G | GLY416 |
G | GLY461 |
G | PHE462 |
G | HOH599 |
G | HOH618 |
G | HOH625 |
G | HOH626 |
G | HOH692 |
G | HOH702 |
G | HOH706 |
G | HOH929 |
G | COM1003 |
H | SER361 |
H | ILE362 |
H | TYR363 |
I | LEU117 |
I | SER118 |
I | GLY119 |
I | ARG153 |
I | THR154 |
I | VAL155 |
I | HIS156 |
I | GLY157 |
I | HIS158 |
site_id | DC1 |
Number of Residues | 21 |
Details | BINDING SITE FOR RESIDUE TP7 G 1002 |
Chain | Residue |
G | ARG239 |
G | LYS270 |
G | MHS271 |
G | LYS284 |
G | PHE334 |
G | MET338 |
G | PHE462 |
G | MHO499 |
G | ASN500 |
G | VAL501 |
G | HOH585 |
G | HOH608 |
G | HOH1225 |
G | HOH1251 |
G | HOH1985 |
H | TYR363 |
H | GLY364 |
H | GLY365 |
H | HIS375 |
H | VAL377 |
H | HOH902 |
site_id | DC2 |
Number of Residues | 10 |
Details | BINDING SITE FOR RESIDUE COM G 1003 |
Chain | Residue |
G | TYR347 |
G | PHE462 |
G | PHE463 |
G | M431001 |
H | PHE357 |
H | SER361 |
H | TYR363 |
H | HOH1344 |
I | LEU117 |
I | ARG120 |
site_id | DC3 |
Number of Residues | 9 |
Details | BINDING SITE FOR RESIDUE 1PE G 580 |
Chain | Residue |
A | VAL58 |
A | ASN59 |
D | ARG186 |
G | ASP16 |
G | PHE18 |
G | ALA19 |
G | GLU20 |
G | THR27 |
I | ARG161 |
site_id | DC4 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE PGE G 581 |
Chain | Residue |
G | LYS38 |
G | MET88 |
G | ASN90 |
G | ASN553 |
G | HOH1266 |
G | HOH1357 |
site_id | DC5 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE PGE G 582 |
Chain | Residue |
G | THR31 |
G | TYR32 |
G | HOH1736 |
site_id | DC6 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE CA G 583 |
Chain | Residue |
G | ALA229 |
G | ALA229 |
G | ARG230 |
G | ARG230 |
G | THR232 |
G | THR232 |
site_id | DC7 |
Number of Residues | 13 |
Details | BINDING SITE FOR RESIDUE 1PE H 434 |
Chain | Residue |
G | TYR267 |
G | HOH751 |
H | LYS171 |
H | MET172 |
H | LEU173 |
H | VAL174 |
H | ASP175 |
H | ASN189 |
H | PRO191 |
H | HIS194 |
H | TYR372 |
H | TYR411 |
H | HOH1900 |
site_id | DC8 |
Number of Residues | 1 |
Details | BINDING SITE FOR RESIDUE SO4 H 435 |
Chain | Residue |
H | ARG62 |
site_id | DC9 |
Number of Residues | 2 |
Details | BINDING SITE FOR RESIDUE SO4 I 281 |
Chain | Residue |
I | ARG276 |
I | HOH1117 |