5ODQ
Heterodisulfide reductase / [NiFe]-hydrogenase complex from Methanothermococcus thermolithotrophicus soaked with bromoethanesulfonate.
Functional Information from GO Data
Chain | GOid | namespace | contents |
A | 0000166 | molecular_function | nucleotide binding |
A | 0003824 | molecular_function | catalytic activity |
A | 0016491 | molecular_function | oxidoreductase activity |
A | 0046872 | molecular_function | metal ion binding |
A | 0051539 | molecular_function | 4 iron, 4 sulfur cluster binding |
B | 0015948 | biological_process | methanogenesis |
B | 0016491 | molecular_function | oxidoreductase activity |
B | 0051912 | molecular_function | CoB--CoM heterodisulfide reductase activity |
C | 0003824 | molecular_function | catalytic activity |
C | 0015948 | biological_process | methanogenesis |
C | 0046872 | molecular_function | metal ion binding |
C | 0051536 | molecular_function | iron-sulfur cluster binding |
C | 0051539 | molecular_function | 4 iron, 4 sulfur cluster binding |
C | 0051912 | molecular_function | CoB--CoM heterodisulfide reductase activity |
D | 0046872 | molecular_function | metal ion binding |
D | 0051537 | molecular_function | 2 iron, 2 sulfur cluster binding |
D | 0051912 | molecular_function | CoB--CoM heterodisulfide reductase activity |
E | 0016491 | molecular_function | oxidoreductase activity |
E | 0033748 | molecular_function | hydrogenase (acceptor) activity |
E | 0046872 | molecular_function | metal ion binding |
E | 0047985 | molecular_function | hydrogen dehydrogenase activity |
E | 0051536 | molecular_function | iron-sulfur cluster binding |
E | 0051539 | molecular_function | 4 iron, 4 sulfur cluster binding |
F | 0008901 | molecular_function | ferredoxin hydrogenase activity |
F | 0016151 | molecular_function | nickel cation binding |
F | 0016491 | molecular_function | oxidoreductase activity |
F | 0033748 | molecular_function | hydrogenase (acceptor) activity |
F | 0046872 | molecular_function | metal ion binding |
F | 0047985 | molecular_function | hydrogen dehydrogenase activity |
G | 0000166 | molecular_function | nucleotide binding |
G | 0003824 | molecular_function | catalytic activity |
G | 0016491 | molecular_function | oxidoreductase activity |
G | 0046872 | molecular_function | metal ion binding |
G | 0051539 | molecular_function | 4 iron, 4 sulfur cluster binding |
H | 0015948 | biological_process | methanogenesis |
H | 0016491 | molecular_function | oxidoreductase activity |
H | 0051912 | molecular_function | CoB--CoM heterodisulfide reductase activity |
I | 0003824 | molecular_function | catalytic activity |
I | 0015948 | biological_process | methanogenesis |
I | 0046872 | molecular_function | metal ion binding |
I | 0051536 | molecular_function | iron-sulfur cluster binding |
I | 0051539 | molecular_function | 4 iron, 4 sulfur cluster binding |
I | 0051912 | molecular_function | CoB--CoM heterodisulfide reductase activity |
J | 0046872 | molecular_function | metal ion binding |
J | 0051537 | molecular_function | 2 iron, 2 sulfur cluster binding |
J | 0051912 | molecular_function | CoB--CoM heterodisulfide reductase activity |
K | 0016491 | molecular_function | oxidoreductase activity |
K | 0033748 | molecular_function | hydrogenase (acceptor) activity |
K | 0046872 | molecular_function | metal ion binding |
K | 0047985 | molecular_function | hydrogen dehydrogenase activity |
K | 0051536 | molecular_function | iron-sulfur cluster binding |
K | 0051539 | molecular_function | 4 iron, 4 sulfur cluster binding |
L | 0008901 | molecular_function | ferredoxin hydrogenase activity |
L | 0016151 | molecular_function | nickel cation binding |
L | 0016491 | molecular_function | oxidoreductase activity |
L | 0033748 | molecular_function | hydrogenase (acceptor) activity |
L | 0046872 | molecular_function | metal ion binding |
L | 0047985 | molecular_function | hydrogen dehydrogenase activity |
Functional Information from PDB Data
site_id | AC1 |
Number of Residues | 36 |
Details | binding site for residue FAD A 701 |
Chain | Residue |
A | ILE149 |
A | THR175 |
A | GLY180 |
A | ARG181 |
A | LEU185 |
A | THR188 |
A | PHE189 |
A | ILE328 |
A | GLY329 |
A | TYR330 |
A | TYR406 |
A | GLY150 |
A | LYS409 |
A | MET495 |
A | SER500 |
A | VAL504 |
A | GLY539 |
A | ALA540 |
A | LYS545 |
A | ASP546 |
A | ILE547 |
A | SER550 |
A | GLY151 |
A | HOH809 |
A | HOH834 |
A | HOH838 |
A | HOH860 |
A | HOH868 |
A | HOH909 |
G | LYS524 |
A | GLY152 |
A | VAL153 |
A | ALA154 |
A | VAL172 |
A | GLU173 |
A | LYS174 |
site_id | AC2 |
Number of Residues | 6 |
Details | binding site for residue ACT A 702 |
Chain | Residue |
A | LYS368 |
A | VAL369 |
A | LYS377 |
A | LYS417 |
A | SER418 |
A | HOH830 |
site_id | AC3 |
Number of Residues | 6 |
Details | binding site for residue ACT A 703 |
Chain | Residue |
A | ARG81 |
A | ARG82 |
A | ALA85 |
A | PHE137 |
A | GLU571 |
A | HOH914 |
site_id | AC4 |
Number of Residues | 10 |
Details | binding site for residue SF4 A 704 |
Chain | Residue |
A | GLN385 |
A | CYS386 |
A | SER389 |
A | ARG390 |
A | CYS399 |
A | SER400 |
A | ASN401 |
A | CYS403 |
A | CYS404 |
A | ASP429 |
site_id | AC5 |
Number of Residues | 7 |
Details | binding site for residue SF4 A 705 |
Chain | Residue |
A | CYS246 |
A | THR247 |
A | CYS249 |
A | GLY250 |
A | CYS252 |
A | TYR286 |
A | CYS303 |
site_id | AC6 |
Number of Residues | 9 |
Details | binding site for residue SF4 A 706 |
Chain | Residue |
A | CYS256 |
A | ALA273 |
A | CYS293 |
A | ILE294 |
A | GLU295 |
A | CYS296 |
A | GLY297 |
A | CYS299 |
A | PHE310 |
site_id | AC7 |
Number of Residues | 7 |
Details | binding site for residue SF4 A 707 |
Chain | Residue |
A | CYS11 |
A | CYS13 |
A | CYS46 |
A | CYS71 |
A | HIS76 |
A | ARG100 |
G | CYS197 |
site_id | AC8 |
Number of Residues | 8 |
Details | binding site for residue SF4 A 708 |
Chain | Residue |
A | ALA577 |
A | CYS594 |
A | ALA598 |
A | CYS617 |
A | LYS618 |
A | CYS620 |
A | GLY621 |
A | CYS623 |
site_id | AC9 |
Number of Residues | 9 |
Details | binding site for residue SF4 A 709 |
Chain | Residue |
A | VAL579 |
A | CYS584 |
A | CYS587 |
A | GLY588 |
A | CYS590 |
A | CYS627 |
A | SER629 |
A | LEU632 |
E | ASN175 |
site_id | AD1 |
Number of Residues | 5 |
Details | binding site for residue GOL A 710 |
Chain | Residue |
A | GLU340 |
H | GLU168 |
I | GLU85 |
I | ARG86 |
A | VAL337 |
site_id | AD2 |
Number of Residues | 9 |
Details | binding site for residue GOL A 711 |
Chain | Residue |
A | TYR427 |
A | TYR441 |
A | PHE452 |
A | HOH828 |
A | HOH851 |
C | CYS34 |
C | TYR35 |
C | GLN36 |
C | HOH302 |
site_id | AD3 |
Number of Residues | 6 |
Details | binding site for residue 9S8 B 301 |
Chain | Residue |
B | GLY8 |
B | CYS9 |
B | CYS41 |
B | CYS42 |
B | CYS78 |
B | CYS81 |
site_id | AD4 |
Number of Residues | 8 |
Details | binding site for residue 9S8 B 302 |
Chain | Residue |
B | CYS153 |
B | HIS154 |
B | CYS193 |
B | CYS194 |
B | CYS231 |
B | CYS234 |
B | 9SB303 |
C | THR78 |
site_id | AD5 |
Number of Residues | 12 |
Details | binding site for residue 9SB B 303 |
Chain | Residue |
B | ALA44 |
B | PRO45 |
B | GLY46 |
B | GLY80 |
B | GLY197 |
B | GLY198 |
B | GLY199 |
B | CYS231 |
B | 9S8302 |
B | HOH406 |
B | HOH407 |
B | HOH414 |
site_id | AD6 |
Number of Residues | 2 |
Details | binding site for residue 9SB B 304 |
Chain | Residue |
B | ARG201 |
B | LEU236 |
site_id | AD7 |
Number of Residues | 10 |
Details | binding site for residue SF4 C 201 |
Chain | Residue |
C | CYS34 |
C | TYR35 |
C | GLN36 |
C | CYS37 |
C | GLY38 |
C | CYS40 |
C | ARG55 |
C | CYS87 |
C | VAL91 |
C | VAL93 |
site_id | AD8 |
Number of Residues | 10 |
Details | binding site for residue SF4 C 202 |
Chain | Residue |
C | CYS44 |
C | TYR52 |
C | THR54 |
C | CYS77 |
C | THR78 |
C | CYS80 |
C | TYR81 |
C | CYS83 |
C | THR94 |
C | ILE97 |
site_id | AD9 |
Number of Residues | 7 |
Details | binding site for residue FES D 201 |
Chain | Residue |
D | CYS13 |
D | MET41 |
D | CYS42 |
D | SER43 |
D | CYS67 |
D | CYS72 |
D | HIS73 |
site_id | AE1 |
Number of Residues | 3 |
Details | binding site for residue ACT D 202 |
Chain | Residue |
D | HIS104 |
D | GLU105 |
D | TRP106 |
site_id | AE2 |
Number of Residues | 8 |
Details | binding site for residue TRS D 203 |
Chain | Residue |
D | TRP4 |
D | GLY58 |
D | ASP60 |
D | PRO131 |
D | CYS132 |
D | LYS135 |
D | GLU136 |
D | HOH307 |
site_id | AE3 |
Number of Residues | 11 |
Details | binding site for residue SF4 E 301 |
Chain | Residue |
E | CYS12 |
E | GLY14 |
E | CYS15 |
E | GLU57 |
E | THR84 |
E | CYS85 |
E | GLY148 |
E | CYS149 |
E | PRO150 |
F | ARG59 |
F | HIS163 |
site_id | AE4 |
Number of Residues | 10 |
Details | binding site for residue SF4 E 302 |
Chain | Residue |
E | LEU176 |
E | THR220 |
E | CYS224 |
E | PRO227 |
E | CYS228 |
E | CYS235 |
E | SER236 |
E | CYS238 |
E | SER239 |
F | ARG160 |
site_id | AE5 |
Number of Residues | 7 |
Details | binding site for residue SF4 E 303 |
Chain | Residue |
E | CYS177 |
E | CYS180 |
E | LYS184 |
E | CYS207 |
E | LEU208 |
E | CYS215 |
E | ILE218 |
site_id | AE6 |
Number of Residues | 12 |
Details | binding site for residue NFU F 501 |
Chain | Residue |
F | CYS61 |
F | CYS64 |
F | HIS68 |
F | ALA373 |
F | PRO374 |
F | ARG375 |
F | LEU378 |
F | VAL397 |
F | ALA398 |
F | THR399 |
F | CYS442 |
F | CYS445 |
site_id | AE7 |
Number of Residues | 5 |
Details | binding site for residue PE3 F 502 |
Chain | Residue |
F | LEU206 |
F | GLU207 |
F | LYS210 |
F | PHE317 |
F | TYR329 |
site_id | AE8 |
Number of Residues | 6 |
Details | binding site for residue FE F 503 |
Chain | Residue |
F | GLU42 |
F | LEU395 |
F | HIS448 |
F | HOH605 |
F | HOH619 |
F | HOH625 |
site_id | AE9 |
Number of Residues | 38 |
Details | binding site for residue FAD G 701 |
Chain | Residue |
G | ILE149 |
G | GLY150 |
G | GLY151 |
G | GLY152 |
G | VAL153 |
G | ALA154 |
G | VAL172 |
G | GLU173 |
G | LYS174 |
G | THR175 |
G | GLY180 |
G | ARG181 |
G | LEU185 |
G | THR188 |
G | PHE189 |
G | ALA327 |
G | ILE328 |
G | GLY329 |
G | TYR330 |
G | LEU353 |
G | TYR406 |
G | LYS409 |
G | MET495 |
G | SER500 |
G | VAL504 |
G | GLY539 |
G | ALA540 |
G | LYS545 |
G | ASP546 |
G | ILE547 |
G | PRO548 |
G | SER550 |
G | HOH807 |
G | HOH808 |
G | HOH820 |
G | HOH844 |
G | HOH849 |
G | HOH855 |
site_id | AF1 |
Number of Residues | 7 |
Details | binding site for residue PE3 G 702 |
Chain | Residue |
A | GLN144 |
A | MET165 |
A | GLY166 |
A | PHE167 |
A | HOH812 |
G | MET165 |
G | PHE167 |
site_id | AF2 |
Number of Residues | 6 |
Details | binding site for residue ACT G 703 |
Chain | Residue |
G | GLY367 |
G | VAL369 |
G | LYS377 |
G | LYS417 |
G | SER418 |
G | HOH890 |
site_id | AF3 |
Number of Residues | 5 |
Details | binding site for residue ACT G 704 |
Chain | Residue |
G | GLY141 |
G | VAL142 |
G | THR143 |
G | GLY228 |
G | ASN229 |
site_id | AF4 |
Number of Residues | 4 |
Details | binding site for residue FE G 705 |
Chain | Residue |
A | CYS197 |
G | CYS46 |
G | HIS76 |
G | SF4706 |
site_id | AF5 |
Number of Residues | 8 |
Details | binding site for residue SF4 G 706 |
Chain | Residue |
G | CYS11 |
G | CYS13 |
G | TYR44 |
G | CYS46 |
G | CYS71 |
G | HIS76 |
G | ARG100 |
G | FE705 |
site_id | AF6 |
Number of Residues | 10 |
Details | binding site for residue SF4 G 707 |
Chain | Residue |
G | GLN385 |
G | CYS386 |
G | SER389 |
G | ARG390 |
G | CYS399 |
G | SER400 |
G | ASN401 |
G | CYS403 |
G | CYS404 |
G | ARG431 |
site_id | AF7 |
Number of Residues | 8 |
Details | binding site for residue SF4 G 708 |
Chain | Residue |
G | CYS246 |
G | THR247 |
G | GLY248 |
G | CYS249 |
G | GLY250 |
G | CYS252 |
G | TYR286 |
G | CYS303 |
site_id | AF8 |
Number of Residues | 12 |
Details | binding site for residue SF4 G 709 |
Chain | Residue |
G | CYS256 |
G | PRO257 |
G | ILE258 |
G | ALA273 |
G | ILE274 |
G | CYS293 |
G | ILE294 |
G | GLU295 |
G | CYS296 |
G | GLY297 |
G | CYS299 |
G | PHE310 |
site_id | AF9 |
Number of Residues | 8 |
Details | binding site for residue SF4 G 710 |
Chain | Residue |
G | CYS594 |
G | ALA598 |
G | PRO599 |
G | CYS617 |
G | LYS618 |
G | CYS620 |
G | GLY621 |
G | CYS623 |
site_id | AG1 |
Number of Residues | 9 |
Details | binding site for residue SF4 G 711 |
Chain | Residue |
G | VAL579 |
G | CYS584 |
G | CYS587 |
G | GLY588 |
G | CYS590 |
G | CYS627 |
G | SER629 |
G | LEU632 |
K | ASN175 |
site_id | AG2 |
Number of Residues | 8 |
Details | binding site for residue GOL G 712 |
Chain | Residue |
G | TYR427 |
G | TYR441 |
G | PHE452 |
G | LEU477 |
G | HOH834 |
I | CYS34 |
I | TYR35 |
I | GLN36 |
site_id | AG3 |
Number of Residues | 6 |
Details | binding site for residue 9S8 H 301 |
Chain | Residue |
H | GLY8 |
H | CYS9 |
H | CYS41 |
H | CYS42 |
H | CYS78 |
H | CYS81 |
site_id | AG4 |
Number of Residues | 7 |
Details | binding site for residue 9S8 H 302 |
Chain | Residue |
H | CYS153 |
H | HIS154 |
H | CYS193 |
H | CYS194 |
H | CYS231 |
H | CYS234 |
H | 9SB303 |
site_id | AG5 |
Number of Residues | 13 |
Details | binding site for residue 9SB H 303 |
Chain | Residue |
H | ALA44 |
H | PRO45 |
H | GLY46 |
H | VAL47 |
H | GLY80 |
H | HIS154 |
H | GLY197 |
H | GLY198 |
H | GLY199 |
H | CYS231 |
H | PHE233 |
H | 9S8302 |
H | HOH404 |
site_id | AG6 |
Number of Residues | 7 |
Details | binding site for residue 9SB H 304 |
Chain | Residue |
H | ARG201 |
H | ALA202 |
H | PHE233 |
H | HOH405 |
H | HOH412 |
I | THR117 |
I | ALA127 |
site_id | AG7 |
Number of Residues | 3 |
Details | binding site for residue GOL H 305 |
Chain | Residue |
H | ARG14 |
H | TYR15 |
H | LEU236 |
site_id | AG8 |
Number of Residues | 9 |
Details | binding site for residue SF4 I 201 |
Chain | Residue |
I | CYS34 |
I | TYR35 |
I | GLN36 |
I | CYS37 |
I | GLY38 |
I | CYS40 |
I | ARG55 |
I | CYS87 |
I | VAL91 |
site_id | AG9 |
Number of Residues | 10 |
Details | binding site for residue SF4 I 202 |
Chain | Residue |
I | CYS44 |
I | TYR52 |
I | THR54 |
I | CYS77 |
I | THR78 |
I | CYS80 |
I | TYR81 |
I | CYS83 |
I | THR94 |
I | ILE97 |
site_id | AH1 |
Number of Residues | 7 |
Details | binding site for residue FES J 200 |
Chain | Residue |
J | CYS13 |
J | MET41 |
J | CYS42 |
J | SER43 |
J | CYS67 |
J | CYS72 |
J | HIS73 |
site_id | AH2 |
Number of Residues | 11 |
Details | binding site for residue SF4 K 301 |
Chain | Residue |
K | CYS12 |
K | GLY14 |
K | CYS15 |
K | GLU57 |
K | THR84 |
K | CYS85 |
K | GLY148 |
K | CYS149 |
K | PRO150 |
L | ARG59 |
L | HIS163 |
site_id | AH3 |
Number of Residues | 9 |
Details | binding site for residue SF4 K 302 |
Chain | Residue |
K | LEU176 |
K | THR220 |
K | CYS224 |
K | CYS228 |
K | CYS235 |
K | SER236 |
K | CYS238 |
K | SER239 |
L | ARG160 |
site_id | AH4 |
Number of Residues | 8 |
Details | binding site for residue SF4 K 303 |
Chain | Residue |
K | CYS177 |
K | CYS180 |
K | ARG182 |
K | LYS184 |
K | CYS207 |
K | LEU208 |
K | CYS215 |
K | ILE218 |
site_id | AH5 |
Number of Residues | 2 |
Details | binding site for residue GOL K 304 |
Chain | Residue |
K | VAL142 |
K | PHE145 |
site_id | AH6 |
Number of Residues | 12 |
Details | binding site for residue NFU L 501 |
Chain | Residue |
L | CYS61 |
L | CYS64 |
L | HIS68 |
L | ALA373 |
L | PRO374 |
L | ARG375 |
L | LEU378 |
L | VAL397 |
L | ALA398 |
L | THR399 |
L | CYS442 |
L | CYS445 |
site_id | AH7 |
Number of Residues | 4 |
Details | binding site for residue PE3 L 502 |
Chain | Residue |
L | LEU206 |
L | GLU207 |
L | PHE317 |
L | TYR329 |
site_id | AH8 |
Number of Residues | 6 |
Details | binding site for residue FE L 503 |
Chain | Residue |
L | GLU42 |
L | LEU395 |
L | HIS448 |
L | HOH616 |
L | HOH624 |
L | HOH673 |
Functional Information from PROSITE/UniProt
site_id | PS00198 |
Number of Residues | 12 |
Details | 4FE4S_FER_1 4Fe-4S ferredoxin-type iron-sulfur binding region signature. CyQCGtCTgSCP |
Chain | Residue | Details |
C | CYS34-PRO45 | |
C | CYS77-PRO88 | |
A | CYS246-PRO257 | |
A | CYS293-GLY304 | |
A | CYS584-PRO595 |
site_id | PS00507 |
Number of Residues | 26 |
Details | NI_HGENASE_L_1 Nickel-dependent hydrogenases large subunit signature 1. RGFEkflegryvedapiytPRiCGIC |
Chain | Residue | Details |
F | ARG39-CYS64 |
site_id | PS00508 |
Number of Residues | 10 |
Details | NI_HGENASE_L_2 Nickel-dependent hydrogenases large subunit signature 2. YDPCLSCat.H |
Chain | Residue | Details |
F | TYR439-HIS448 |