3HYX
3-D X-Ray structure of the sulfide:quinone oxidoreductase from Aquifex aeolicus in complex with Aurachin C
Replaces: 3H29Functional Information from GO Data
Chain | GOid | namespace | contents |
A | 0000166 | molecular_function | nucleotide binding |
A | 0003955 | molecular_function | NAD(P)H dehydrogenase (quinone) activity |
A | 0016020 | cellular_component | membrane |
A | 0016491 | molecular_function | oxidoreductase activity |
A | 0019646 | biological_process | aerobic electron transport chain |
A | 0042802 | molecular_function | identical protein binding |
A | 0048038 | molecular_function | quinone binding |
A | 0070224 | molecular_function | sulfide:quinone oxidoreductase activity |
B | 0000166 | molecular_function | nucleotide binding |
B | 0003955 | molecular_function | NAD(P)H dehydrogenase (quinone) activity |
B | 0016020 | cellular_component | membrane |
B | 0016491 | molecular_function | oxidoreductase activity |
B | 0019646 | biological_process | aerobic electron transport chain |
B | 0042802 | molecular_function | identical protein binding |
B | 0048038 | molecular_function | quinone binding |
B | 0070224 | molecular_function | sulfide:quinone oxidoreductase activity |
C | 0000166 | molecular_function | nucleotide binding |
C | 0003955 | molecular_function | NAD(P)H dehydrogenase (quinone) activity |
C | 0016020 | cellular_component | membrane |
C | 0016491 | molecular_function | oxidoreductase activity |
C | 0019646 | biological_process | aerobic electron transport chain |
C | 0042802 | molecular_function | identical protein binding |
C | 0048038 | molecular_function | quinone binding |
C | 0070224 | molecular_function | sulfide:quinone oxidoreductase activity |
D | 0000166 | molecular_function | nucleotide binding |
D | 0003955 | molecular_function | NAD(P)H dehydrogenase (quinone) activity |
D | 0016020 | cellular_component | membrane |
D | 0016491 | molecular_function | oxidoreductase activity |
D | 0019646 | biological_process | aerobic electron transport chain |
D | 0042802 | molecular_function | identical protein binding |
D | 0048038 | molecular_function | quinone binding |
D | 0070224 | molecular_function | sulfide:quinone oxidoreductase activity |
E | 0000166 | molecular_function | nucleotide binding |
E | 0003955 | molecular_function | NAD(P)H dehydrogenase (quinone) activity |
E | 0016020 | cellular_component | membrane |
E | 0016491 | molecular_function | oxidoreductase activity |
E | 0019646 | biological_process | aerobic electron transport chain |
E | 0042802 | molecular_function | identical protein binding |
E | 0048038 | molecular_function | quinone binding |
E | 0070224 | molecular_function | sulfide:quinone oxidoreductase activity |
F | 0000166 | molecular_function | nucleotide binding |
F | 0003955 | molecular_function | NAD(P)H dehydrogenase (quinone) activity |
F | 0016020 | cellular_component | membrane |
F | 0016491 | molecular_function | oxidoreductase activity |
F | 0019646 | biological_process | aerobic electron transport chain |
F | 0042802 | molecular_function | identical protein binding |
F | 0048038 | molecular_function | quinone binding |
F | 0070224 | molecular_function | sulfide:quinone oxidoreductase activity |
Functional Information from PDB Data
site_id | AC1 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE SO4 A 433 |
Chain | Residue |
A | LYS77 |
A | LYS108 |
A | PRO257 |
A | GLU258 |
A | VAL259 |
A | FAD441 |
site_id | AC2 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE SO4 A 434 |
Chain | Residue |
A | LMT600 |
A | GLY375 |
A | LYS376 |
A | TRP377 |
site_id | AC3 |
Number of Residues | 31 |
Details | BINDING SITE FOR RESIDUE FAD A 441 |
Chain | Residue |
A | ILE8 |
A | GLY9 |
A | GLY10 |
A | GLY11 |
A | VAL12 |
A | GLY13 |
A | SER34 |
A | ASP35 |
A | ARG36 |
A | THR42 |
A | PRO43 |
A | LYS77 |
A | ALA78 |
A | ALA104 |
A | THR105 |
A | GLY106 |
A | ILE123 |
A | CYS124 |
A | PRO159 |
A | GLY293 |
A | VAL294 |
A | GLY314 |
A | ILE317 |
A | LYS382 |
A | HOH432 |
A | SO4433 |
A | HOH468 |
A | HOH469 |
A | HOH481 |
A | AUK501 |
A | H2S700 |
site_id | AC4 |
Number of Residues | 13 |
Details | BINDING SITE FOR RESIDUE AUK A 501 |
Chain | Residue |
A | GLY314 |
A | MET315 |
A | GLU318 |
A | ILE346 |
A | LYS373 |
A | PHE381 |
A | PHE385 |
A | LEU407 |
A | LEU411 |
A | FAD441 |
A | HOH480 |
A | HOH481 |
A | LMT600 |
site_id | AC5 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE LMT A 600 |
Chain | Residue |
A | LYS373 |
A | TRP377 |
A | PHE410 |
A | SO4434 |
A | AUK501 |
B | LMT600 |
site_id | AC6 |
Number of Residues | 2 |
Details | BINDING SITE FOR RESIDUE H2S A 700 |
Chain | Residue |
A | CYS124 |
A | FAD441 |
site_id | AC7 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE PS9 A 800 |
Chain | Residue |
A | CSS156 |
A | GLY158 |
A | PRO159 |
A | CYS347 |
site_id | AC8 |
Number of Residues | 2 |
Details | BINDING SITE FOR RESIDUE SO4 A 431 |
Chain | Residue |
A | LYS172 |
C | ARG369 |
site_id | AC9 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE SO4 B 432 |
Chain | Residue |
A | TRP391 |
A | ARG394 |
A | ASN395 |
B | SER401 |
site_id | BC1 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE SO4 B 431 |
Chain | Residue |
A | SER401 |
B | TRP391 |
B | ARG394 |
B | ASN395 |
B | HOH439 |
site_id | BC2 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE SO4 B 433 |
Chain | Residue |
B | LYS77 |
B | LYS108 |
B | PRO257 |
B | GLU258 |
B | VAL259 |
B | FAD441 |
site_id | BC3 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE SO4 B 434 |
Chain | Residue |
B | GLY375 |
B | LYS376 |
B | TRP377 |
B | HOH459 |
B | LMT600 |
site_id | BC4 |
Number of Residues | 29 |
Details | BINDING SITE FOR RESIDUE FAD B 441 |
Chain | Residue |
B | ALA104 |
B | THR105 |
B | GLY106 |
B | PRO107 |
B | ILE123 |
B | CYS124 |
B | PRO159 |
B | GLY293 |
B | VAL294 |
B | THR313 |
B | GLY314 |
B | ILE317 |
B | LYS382 |
B | SO4433 |
B | HOH436 |
B | HOH464 |
B | HOH465 |
B | H2S700 |
B | GLY9 |
B | GLY10 |
B | GLY11 |
B | VAL12 |
B | GLY13 |
B | ASP35 |
B | ARG36 |
B | THR42 |
B | PRO43 |
B | LYS77 |
B | ALA78 |
site_id | BC5 |
Number of Residues | 13 |
Details | BINDING SITE FOR RESIDUE AUK B 501 |
Chain | Residue |
B | MET315 |
B | GLU318 |
B | ILE346 |
B | PHE357 |
B | LYS373 |
B | TRP377 |
B | PHE381 |
B | PHE385 |
B | GLU403 |
B | VAL406 |
B | LEU407 |
B | HOH469 |
B | LMT600 |
site_id | BC6 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE LMT B 600 |
Chain | Residue |
A | LMT600 |
B | LYS373 |
B | PHE410 |
B | SO4434 |
B | AUK501 |
site_id | BC7 |
Number of Residues | 2 |
Details | BINDING SITE FOR RESIDUE H2S B 700 |
Chain | Residue |
B | CYS124 |
B | FAD441 |
site_id | BC8 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE PS9 B 800 |
Chain | Residue |
B | CSS156 |
B | GLY158 |
B | PRO159 |
B | PHE194 |
B | CYS347 |
B | ALA349 |
site_id | BC9 |
Number of Residues | 2 |
Details | BINDING SITE FOR RESIDUE SO4 B 435 |
Chain | Residue |
B | LYS172 |
F | ARG369 |
site_id | CC1 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE SO4 C 432 |
Chain | Residue |
C | TRP391 |
C | ARG394 |
C | ASN395 |
D | SER401 |
site_id | CC2 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE SO4 C 433 |
Chain | Residue |
C | LYS77 |
C | LYS108 |
C | PRO257 |
C | GLU258 |
C | VAL259 |
C | FAD441 |
site_id | CC3 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE SO4 C 434 |
Chain | Residue |
C | GLY375 |
C | LYS376 |
C | TRP377 |
C | LMT600 |
site_id | CC4 |
Number of Residues | 30 |
Details | BINDING SITE FOR RESIDUE FAD C 441 |
Chain | Residue |
C | GLY9 |
C | GLY10 |
C | GLY11 |
C | VAL12 |
C | GLY13 |
C | SER34 |
C | ASP35 |
C | ARG36 |
C | THR42 |
C | PRO43 |
C | LYS77 |
C | ALA78 |
C | ALA104 |
C | THR105 |
C | GLY106 |
C | ILE123 |
C | CYS124 |
C | PRO159 |
C | GLY293 |
C | VAL294 |
C | THR313 |
C | GLY314 |
C | ILE317 |
C | LYS382 |
C | SO4433 |
C | HOH435 |
C | HOH462 |
C | HOH467 |
C | H2S700 |
C | PS9800 |
site_id | CC5 |
Number of Residues | 12 |
Details | BINDING SITE FOR RESIDUE AUK C 501 |
Chain | Residue |
C | MET315 |
C | GLU318 |
C | PHE357 |
C | LYS373 |
C | PHE381 |
C | PHE385 |
C | GLU403 |
C | LEU407 |
C | HOH467 |
C | HOH468 |
C | LMT600 |
D | AUK501 |
site_id | CC6 |
Number of Residues | 8 |
Details | BINDING SITE FOR RESIDUE LMT C 600 |
Chain | Residue |
C | LYS373 |
C | MET374 |
C | TRP377 |
C | PHE410 |
C | SO4434 |
C | AUK501 |
D | AUK501 |
D | LMT600 |
site_id | CC7 |
Number of Residues | 2 |
Details | BINDING SITE FOR RESIDUE H2S C 700 |
Chain | Residue |
C | CYS124 |
C | FAD441 |
site_id | CC8 |
Number of Residues | 7 |
Details | BINDING SITE FOR RESIDUE PS9 C 800 |
Chain | Residue |
C | CSS156 |
C | GLY158 |
C | PRO159 |
C | CYS347 |
C | ILE348 |
C | ALA349 |
C | FAD441 |
site_id | CC9 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE SO4 C 431 |
Chain | Residue |
C | LYS172 |
E | ARG369 |
E | LYS412 |
site_id | DC1 |
Number of Residues | 2 |
Details | BINDING SITE FOR RESIDUE SO4 D 431 |
Chain | Residue |
B | ARG369 |
D | LYS172 |
site_id | DC2 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE SO4 D 432 |
Chain | Residue |
C | SER401 |
D | TRP391 |
D | ARG394 |
D | ASN395 |
D | HOH437 |
site_id | DC3 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE SO4 D 433 |
Chain | Residue |
D | LYS77 |
D | LYS108 |
D | PRO257 |
D | GLU258 |
D | VAL259 |
site_id | DC4 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE SO4 D 434 |
Chain | Residue |
D | GLY375 |
D | LYS376 |
D | TRP377 |
D | LMT600 |
site_id | DC5 |
Number of Residues | 31 |
Details | BINDING SITE FOR RESIDUE FAD D 441 |
Chain | Residue |
D | ILE8 |
D | GLY9 |
D | GLY10 |
D | GLY11 |
D | VAL12 |
D | GLY13 |
D | ILE33 |
D | SER34 |
D | ASP35 |
D | ARG36 |
D | THR42 |
D | PRO43 |
D | LYS77 |
D | ALA78 |
D | ALA104 |
D | THR105 |
D | GLY106 |
D | ILE123 |
D | CYS124 |
D | PRO159 |
D | GLY293 |
D | VAL294 |
D | LYS312 |
D | THR313 |
D | GLY314 |
D | ILE317 |
D | LYS382 |
D | HOH456 |
D | HOH458 |
D | AUK501 |
D | H2S700 |
site_id | DC6 |
Number of Residues | 17 |
Details | BINDING SITE FOR RESIDUE AUK D 501 |
Chain | Residue |
C | TYR388 |
C | PHE402 |
C | AUK501 |
C | LMT600 |
D | GLY314 |
D | MET315 |
D | GLU318 |
D | ILE346 |
D | PHE381 |
D | PHE385 |
D | TYR388 |
D | PHE402 |
D | GLU403 |
D | LEU407 |
D | FAD441 |
D | HOH457 |
D | LMT600 |
site_id | DC7 |
Number of Residues | 8 |
Details | BINDING SITE FOR RESIDUE LMT D 600 |
Chain | Residue |
C | PHE381 |
C | LMT600 |
D | LYS373 |
D | MET374 |
D | TRP377 |
D | SO4434 |
D | HOH446 |
D | AUK501 |
site_id | DC8 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE H2S D 700 |
Chain | Residue |
D | CYS124 |
D | CSS156 |
D | PHE254 |
D | FAD441 |
site_id | DC9 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE PS9 D 800 |
Chain | Residue |
D | CSS156 |
D | GLY158 |
D | PRO159 |
D | THR313 |
D | CYS347 |
D | ALA349 |
site_id | EC1 |
Number of Residues | 2 |
Details | BINDING SITE FOR RESIDUE SO4 D 435 |
Chain | Residue |
D | ARG369 |
F | LYS172 |
site_id | EC2 |
Number of Residues | 2 |
Details | BINDING SITE FOR RESIDUE SO4 E 431 |
Chain | Residue |
A | ARG369 |
E | LYS172 |
site_id | EC3 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE SO4 E 432 |
Chain | Residue |
E | TRP391 |
E | ARG394 |
E | ASN395 |
F | SER401 |
site_id | EC4 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE SO4 E 433 |
Chain | Residue |
E | LYS77 |
E | LYS108 |
E | PRO257 |
E | GLU258 |
E | VAL259 |
E | FAD441 |
site_id | EC5 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE SO4 E 434 |
Chain | Residue |
E | GLY375 |
E | LYS376 |
E | TRP377 |
E | LMT600 |
site_id | EC6 |
Number of Residues | 32 |
Details | BINDING SITE FOR RESIDUE FAD E 441 |
Chain | Residue |
E | ILE8 |
E | GLY9 |
E | GLY10 |
E | GLY11 |
E | VAL12 |
E | GLY13 |
E | SER34 |
E | ASP35 |
E | ARG36 |
E | THR42 |
E | PRO43 |
E | LYS77 |
E | ALA78 |
E | ALA104 |
E | THR105 |
E | GLY106 |
E | ILE123 |
E | CYS124 |
E | VAL259 |
E | GLY293 |
E | VAL294 |
E | LYS312 |
E | THR313 |
E | GLY314 |
E | ILE317 |
E | LYS382 |
E | SO4433 |
E | HOH436 |
E | HOH458 |
E | HOH459 |
E | HOH461 |
E | H2S700 |
site_id | EC7 |
Number of Residues | 9 |
Details | BINDING SITE FOR RESIDUE AUK E 501 |
Chain | Residue |
E | MET315 |
E | GLU318 |
E | ILE346 |
E | PHE381 |
E | PHE385 |
E | GLU403 |
E | LEU407 |
E | HOH461 |
E | LMT600 |
site_id | EC8 |
Number of Residues | 7 |
Details | BINDING SITE FOR RESIDUE LMT E 600 |
Chain | Residue |
E | LYS373 |
E | TRP377 |
E | PHE410 |
E | SO4434 |
E | AUK501 |
F | PHE381 |
F | LMT600 |
site_id | EC9 |
Number of Residues | 2 |
Details | BINDING SITE FOR RESIDUE H2S E 700 |
Chain | Residue |
E | CYS124 |
E | FAD441 |
site_id | FC1 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE PS9 E 800 |
Chain | Residue |
E | CSS156 |
E | GLY158 |
E | PHE194 |
E | PRO311 |
E | CYS347 |
site_id | FC2 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE SO4 E 435 |
Chain | Residue |
E | SER401 |
E | HOH440 |
F | TRP391 |
site_id | FC3 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE SO4 F 433 |
Chain | Residue |
F | LYS77 |
F | LYS108 |
F | PRO257 |
F | GLU258 |
F | VAL259 |
site_id | FC4 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE SO4 F 434 |
Chain | Residue |
F | GLY375 |
F | LYS376 |
F | TRP377 |
F | LMT600 |
site_id | FC5 |
Number of Residues | 33 |
Details | BINDING SITE FOR RESIDUE FAD F 441 |
Chain | Residue |
F | ILE8 |
F | GLY9 |
F | GLY10 |
F | GLY11 |
F | VAL12 |
F | GLY13 |
F | ILE33 |
F | SER34 |
F | ASP35 |
F | ARG36 |
F | THR42 |
F | PRO43 |
F | LYS77 |
F | ALA78 |
F | ALA104 |
F | THR105 |
F | GLY106 |
F | PRO107 |
F | ILE123 |
F | CYS124 |
F | PRO159 |
F | GLY293 |
F | VAL294 |
F | THR313 |
F | GLY314 |
F | ILE317 |
F | LYS382 |
F | HOH432 |
F | HOH459 |
F | HOH468 |
F | AUK501 |
F | H2S700 |
F | PS9800 |
site_id | FC6 |
Number of Residues | 12 |
Details | BINDING SITE FOR RESIDUE AUK F 501 |
Chain | Residue |
F | GLY314 |
F | MET315 |
F | GLU318 |
F | ILE346 |
F | PHE381 |
F | PHE385 |
F | GLU403 |
F | LEU407 |
F | FAD441 |
F | HOH466 |
F | HOH468 |
F | LMT600 |
site_id | FC7 |
Number of Residues | 7 |
Details | BINDING SITE FOR RESIDUE LMT F 600 |
Chain | Residue |
E | PHE381 |
E | LMT600 |
F | LYS373 |
F | TRP377 |
F | PHE410 |
F | SO4434 |
F | AUK501 |
site_id | FC8 |
Number of Residues | 2 |
Details | BINDING SITE FOR RESIDUE H2S F 700 |
Chain | Residue |
F | CYS124 |
F | FAD441 |
site_id | FC9 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE PS9 F 800 |
Chain | Residue |
F | CSS156 |
F | GLY158 |
F | PRO159 |
F | PHE194 |
F | CYS347 |
F | FAD441 |
Functional Information from SwissProt/UniProt
site_id | SWS_FT_FI1 |
Number of Residues | 12 |
Details | ACT_SITE: Cysteine persulfide intermediate => ECO:0000250|UniProtKB:Q7ZAG8, ECO:0000303|PubMed:19487671 |
Chain | Residue | Details |
A | CSS156 | |
E | CYS347 | |
F | CSS156 | |
F | CYS347 | |
A | CYS347 | |
B | CSS156 | |
B | CYS347 | |
C | CSS156 | |
C | CYS347 | |
D | CSS156 | |
D | CYS347 | |
E | CSS156 |
site_id | SWS_FT_FI2 |
Number of Residues | 48 |
Details | BINDING: BINDING => ECO:0000269|PubMed:19487671 |
Chain | Residue | Details |
A | GLY9 | |
B | SER34 | |
B | THR42 | |
B | THR105 | |
B | VAL294 | |
B | GLY314 | |
B | ILE346 | |
B | LYS382 | |
C | GLY9 | |
C | SER34 | |
C | THR42 | |
A | SER34 | |
C | THR105 | |
C | VAL294 | |
C | GLY314 | |
C | ILE346 | |
C | LYS382 | |
D | GLY9 | |
D | SER34 | |
D | THR42 | |
D | THR105 | |
D | VAL294 | |
A | THR42 | |
D | GLY314 | |
D | ILE346 | |
D | LYS382 | |
E | GLY9 | |
E | SER34 | |
E | THR42 | |
E | THR105 | |
E | VAL294 | |
E | GLY314 | |
E | ILE346 | |
A | THR105 | |
E | LYS382 | |
F | GLY9 | |
F | SER34 | |
F | THR42 | |
F | THR105 | |
F | VAL294 | |
F | GLY314 | |
F | ILE346 | |
F | LYS382 | |
A | VAL294 | |
A | GLY314 | |
A | ILE346 | |
A | LYS382 | |
B | GLY9 |