5MH6
D-2-hydroxyacid dehydrogenases (D2-HDH) from Haloferax mediterranei in complex with 2-ketohexanoic acid and NAD+ (1.35 A resolution)
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0016491 | molecular_function | oxidoreductase activity |
| A | 0016616 | molecular_function | oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor |
| A | 0019752 | biological_process | carboxylic acid metabolic process |
| A | 0031406 | molecular_function | carboxylic acid binding |
| A | 0051287 | molecular_function | NAD binding |
| A | 0070402 | molecular_function | NADPH binding |
| A | 0070404 | molecular_function | NADH binding |
| B | 0016491 | molecular_function | oxidoreductase activity |
| B | 0016616 | molecular_function | oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor |
| B | 0019752 | biological_process | carboxylic acid metabolic process |
| B | 0031406 | molecular_function | carboxylic acid binding |
| B | 0051287 | molecular_function | NAD binding |
| B | 0070402 | molecular_function | NADPH binding |
| B | 0070404 | molecular_function | NADH binding |
| C | 0016491 | molecular_function | oxidoreductase activity |
| C | 0016616 | molecular_function | oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor |
| C | 0019752 | biological_process | carboxylic acid metabolic process |
| C | 0031406 | molecular_function | carboxylic acid binding |
| C | 0051287 | molecular_function | NAD binding |
| C | 0070402 | molecular_function | NADPH binding |
| C | 0070404 | molecular_function | NADH binding |
| D | 0016491 | molecular_function | oxidoreductase activity |
| D | 0016616 | molecular_function | oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor |
| D | 0019752 | biological_process | carboxylic acid metabolic process |
| D | 0031406 | molecular_function | carboxylic acid binding |
| D | 0051287 | molecular_function | NAD binding |
| D | 0070402 | molecular_function | NADPH binding |
| D | 0070404 | molecular_function | NADH binding |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 7 |
| Details | binding site for residue EDO A 401 |
| Chain | Residue |
| A | TRP264 |
| A | ASP265 |
| A | GLU267 |
| A | HOH618 |
| A | HOH716 |
| B | GLN117 |
| B | HIS118 |
| site_id | AC2 |
| Number of Residues | 8 |
| Details | binding site for residue EDO A 402 |
| Chain | Residue |
| A | HOH512 |
| A | HOH585 |
| A | HOH592 |
| A | HOH640 |
| C | GLY29 |
| C | HOH863 |
| A | ARG14 |
| A | ALA15 |
| site_id | AC3 |
| Number of Residues | 6 |
| Details | binding site for residue EDO A 403 |
| Chain | Residue |
| A | GLY89 |
| A | ILE90 |
| A | ASP285 |
| A | HOH583 |
| A | HOH590 |
| A | HOH752 |
| site_id | AC4 |
| Number of Residues | 4 |
| Details | binding site for residue EDO A 404 |
| Chain | Residue |
| A | ASP260 |
| A | HOH596 |
| D | ASP169 |
| D | PRO170 |
| site_id | AC5 |
| Number of Residues | 7 |
| Details | binding site for residue EDO A 405 |
| Chain | Residue |
| A | THR88 |
| A | GLY89 |
| A | LEU289 |
| A | THR304 |
| A | ASN305 |
| A | HOH551 |
| A | HOH671 |
| site_id | AC6 |
| Number of Residues | 5 |
| Details | binding site for residue EDO A 406 |
| Chain | Residue |
| A | SER11 |
| A | GLY51 |
| A | HIS52 |
| A | HOH699 |
| A | HOH753 |
| site_id | AC7 |
| Number of Residues | 8 |
| Details | binding site for residue SO4 A 407 |
| Chain | Residue |
| A | ARG165 |
| A | ARG166 |
| A | SER167 |
| A | NAD415 |
| A | HOH545 |
| A | HOH642 |
| A | HOH713 |
| A | HOH800 |
| site_id | AC8 |
| Number of Residues | 6 |
| Details | binding site for residue MG A 408 |
| Chain | Residue |
| A | GLU211 |
| A | HOH543 |
| A | HOH595 |
| C | HOH556 |
| C | HOH589 |
| C | HOH687 |
| site_id | AC9 |
| Number of Residues | 6 |
| Details | binding site for residue MG A 409 |
| Chain | Residue |
| A | HOH511 |
| A | HOH516 |
| A | HOH560 |
| A | HOH564 |
| A | HOH572 |
| A | HOH949 |
| site_id | AD1 |
| Number of Residues | 5 |
| Details | binding site for residue MG A 410 |
| Chain | Residue |
| A | HOH888 |
| A | HOH930 |
| A | HOH937 |
| A | HOH964 |
| D | HOH551 |
| site_id | AD2 |
| Number of Residues | 4 |
| Details | binding site for residue MG A 411 |
| Chain | Residue |
| A | THR132 |
| A | ALA134 |
| A | HOH557 |
| A | HOH786 |
| site_id | AD3 |
| Number of Residues | 6 |
| Details | binding site for residue MG A 412 |
| Chain | Residue |
| A | HOH633 |
| A | HOH890 |
| A | HOH913 |
| A | HOH924 |
| A | HOH962 |
| A | HOH965 |
| site_id | AD4 |
| Number of Residues | 6 |
| Details | binding site for residue MG A 413 |
| Chain | Residue |
| A | PHE212 |
| A | GLU213 |
| A | MET215 |
| A | ASP243 |
| A | HOH832 |
| A | HOH844 |
| site_id | AD5 |
| Number of Residues | 7 |
| Details | binding site for residue MG A 414 |
| Chain | Residue |
| A | GLY227 |
| A | PRO228 |
| A | VAL230 |
| A | GLU232 |
| A | SER253 |
| A | HOH601 |
| A | HOH816 |
| site_id | AD6 |
| Number of Residues | 35 |
| Details | binding site for residue NAD A 415 |
| Chain | Residue |
| A | ASP250 |
| A | VAL251 |
| A | HIS274 |
| A | SER276 |
| A | ALA277 |
| A | SO4407 |
| A | 7N5416 |
| A | HOH524 |
| A | HOH544 |
| A | HOH547 |
| A | HOH577 |
| A | HOH584 |
| A | HOH589 |
| A | HOH602 |
| A | HOH684 |
| A | HOH691 |
| A | HOH706 |
| A | HOH713 |
| A | HOH765 |
| A | HOH808 |
| A | HOH876 |
| A | ALA67 |
| A | GLY68 |
| A | THR88 |
| A | LEU143 |
| A | GLY144 |
| A | THR145 |
| A | LEU146 |
| A | ARG166 |
| A | ALA196 |
| A | PRO198 |
| A | THR203 |
| A | VAL224 |
| A | ALA225 |
| A | ARG226 |
| site_id | AD7 |
| Number of Residues | 8 |
| Details | binding site for residue 7N5 A 416 |
| Chain | Residue |
| A | ARG66 |
| A | ALA67 |
| A | GLY68 |
| A | HIS91 |
| A | ARG226 |
| A | HIS274 |
| A | TYR282 |
| A | NAD415 |
| site_id | AD8 |
| Number of Residues | 8 |
| Details | binding site for residue EDO B 401 |
| Chain | Residue |
| A | GLN117 |
| A | HIS118 |
| B | TRP264 |
| B | ASP265 |
| B | PHE266 |
| B | GLU267 |
| B | HOH509 |
| B | HOH524 |
| site_id | AD9 |
| Number of Residues | 8 |
| Details | binding site for residue EDO B 402 |
| Chain | Residue |
| A | GLY29 |
| A | HOH773 |
| B | ARG14 |
| B | ALA15 |
| B | HOH523 |
| B | HOH559 |
| B | HOH625 |
| B | HOH629 |
| site_id | AE1 |
| Number of Residues | 11 |
| Details | binding site for residue EDO B 403 |
| Chain | Residue |
| A | HIS120 |
| B | GLU259 |
| B | ASP260 |
| B | SER261 |
| B | ASP265 |
| B | HOH508 |
| B | HOH633 |
| C | VAL171 |
| C | ASP172 |
| C | EDO405 |
| C | HOH815 |
| site_id | AE2 |
| Number of Residues | 8 |
| Details | binding site for residue EDO B 404 |
| Chain | Residue |
| B | PRO170 |
| B | VAL171 |
| B | VAL174 |
| B | SER175 |
| B | VAL177 |
| C | EDO404 |
| C | HOH504 |
| C | HOH896 |
| site_id | AE3 |
| Number of Residues | 8 |
| Details | binding site for residue EDO B 405 |
| Chain | Residue |
| B | GLY205 |
| B | ALA208 |
| B | HOH504 |
| B | HOH506 |
| B | HOH537 |
| D | GLY205 |
| D | ALA208 |
| D | HOH545 |
| site_id | AE4 |
| Number of Residues | 7 |
| Details | binding site for residue EDO B 406 |
| Chain | Residue |
| A | TRP122 |
| A | LEU124 |
| B | PRO273 |
| B | HIS274 |
| B | HOH518 |
| B | HOH563 |
| B | HOH579 |
| site_id | AE5 |
| Number of Residues | 6 |
| Details | binding site for residue SO4 B 407 |
| Chain | Residue |
| B | ARG165 |
| B | ARG166 |
| B | SER167 |
| B | NAD413 |
| B | HOH517 |
| B | HOH594 |
| site_id | AE6 |
| Number of Residues | 6 |
| Details | binding site for residue MG B 408 |
| Chain | Residue |
| B | GLU211 |
| B | HOH537 |
| B | HOH581 |
| B | HOH735 |
| B | HOH761 |
| D | HOH791 |
| site_id | AE7 |
| Number of Residues | 6 |
| Details | binding site for residue MG B 409 |
| Chain | Residue |
| B | HOH514 |
| B | HOH549 |
| B | HOH569 |
| B | HOH617 |
| B | HOH757 |
| B | HOH902 |
| site_id | AE8 |
| Number of Residues | 5 |
| Details | binding site for residue MG B 410 |
| Chain | Residue |
| B | THR132 |
| B | ALA134 |
| B | HOH565 |
| B | HOH699 |
| B | HOH788 |
| site_id | AE9 |
| Number of Residues | 6 |
| Details | binding site for residue MG B 411 |
| Chain | Residue |
| B | HOH539 |
| B | HOH844 |
| B | HOH873 |
| B | HOH896 |
| C | HOH674 |
| C | HOH865 |
| site_id | AF1 |
| Number of Residues | 6 |
| Details | binding site for residue MG B 412 |
| Chain | Residue |
| B | PHE212 |
| B | GLU213 |
| B | MET215 |
| B | ASP243 |
| B | HOH790 |
| B | HOH801 |
| site_id | AF2 |
| Number of Residues | 7 |
| Details | binding site for residue MG A 417 |
| Chain | Residue |
| A | ASP265 |
| A | HOH716 |
| A | HOH850 |
| B | HIS120 |
| B | HOH528 |
| D | ASP172 |
| D | HOH719 |
| site_id | AF3 |
| Number of Residues | 33 |
| Details | binding site for residue NAD B 413 |
| Chain | Residue |
| B | ALA67 |
| B | THR88 |
| B | GLY142 |
| B | GLY144 |
| B | THR145 |
| B | LEU146 |
| B | ARG166 |
| B | ALA196 |
| B | THR197 |
| B | PRO198 |
| B | THR203 |
| B | VAL224 |
| B | ALA225 |
| B | ARG226 |
| B | ASP250 |
| B | VAL251 |
| B | HIS274 |
| B | SER276 |
| B | ALA277 |
| B | SO4407 |
| B | 7N5414 |
| B | HOH503 |
| B | HOH512 |
| B | HOH517 |
| B | HOH530 |
| B | HOH557 |
| B | HOH582 |
| B | HOH600 |
| B | HOH612 |
| B | HOH661 |
| B | HOH663 |
| B | HOH677 |
| B | HOH686 |
| site_id | AF4 |
| Number of Residues | 9 |
| Details | binding site for residue 7N5 B 414 |
| Chain | Residue |
| B | ARG66 |
| B | ALA67 |
| B | GLY68 |
| B | HIS91 |
| B | ARG226 |
| B | HIS274 |
| B | ALA277 |
| B | TYR282 |
| B | NAD413 |
| site_id | AF5 |
| Number of Residues | 6 |
| Details | binding site for residue NA C 401 |
| Chain | Residue |
| C | THR88 |
| C | THR145 |
| C | NAD415 |
| C | HOH676 |
| C | HOH861 |
| C | HOH927 |
| site_id | AF6 |
| Number of Residues | 9 |
| Details | binding site for residue EDO C 402 |
| Chain | Residue |
| C | TRP264 |
| C | ASP265 |
| C | PHE266 |
| C | GLU267 |
| C | HOH528 |
| C | HOH673 |
| D | GLN117 |
| D | HIS118 |
| D | HOH676 |
| site_id | AF7 |
| Number of Residues | 6 |
| Details | binding site for residue EDO C 403 |
| Chain | Residue |
| C | GLY13 |
| C | MET16 |
| C | PRO17 |
| C | HOH704 |
| C | HOH745 |
| D | TYR127 |
| site_id | AF8 |
| Number of Residues | 10 |
| Details | binding site for residue EDO C 404 |
| Chain | Residue |
| B | VAL171 |
| B | ASP172 |
| B | EDO404 |
| C | GLU259 |
| C | ASP260 |
| C | SER261 |
| C | PRO262 |
| C | ASP265 |
| C | HOH504 |
| D | HIS120 |
| site_id | AF9 |
| Number of Residues | 6 |
| Details | binding site for residue EDO C 405 |
| Chain | Residue |
| B | EDO403 |
| C | PRO170 |
| C | VAL171 |
| C | VAL174 |
| C | SER175 |
| C | VAL177 |
| site_id | AG1 |
| Number of Residues | 9 |
| Details | binding site for residue EDO C 406 |
| Chain | Residue |
| A | ALA208 |
| A | PRO210 |
| A | HOH543 |
| C | GLY205 |
| C | VAL231 |
| C | HOH505 |
| C | HOH512 |
| C | HOH586 |
| C | HOH616 |
| site_id | AG2 |
| Number of Residues | 5 |
| Details | binding site for residue EDO C 407 |
| Chain | Residue |
| B | PRO170 |
| B | HOH665 |
| C | ASP260 |
| C | PRO262 |
| C | HOH901 |
| site_id | AG3 |
| Number of Residues | 7 |
| Details | binding site for residue SO4 C 408 |
| Chain | Residue |
| C | ARG165 |
| C | ARG166 |
| C | SER167 |
| C | NAD415 |
| C | HOH503 |
| C | HOH640 |
| C | HOH747 |
| site_id | AG4 |
| Number of Residues | 6 |
| Details | binding site for residue MG C 409 |
| Chain | Residue |
| A | HOH556 |
| A | HOH666 |
| A | HOH705 |
| C | GLU211 |
| C | HOH538 |
| C | HOH540 |
| site_id | AG5 |
| Number of Residues | 6 |
| Details | binding site for residue MG C 410 |
| Chain | Residue |
| C | HOH510 |
| C | HOH531 |
| C | HOH533 |
| C | HOH552 |
| C | HOH694 |
| C | HOH952 |
| site_id | AG6 |
| Number of Residues | 6 |
| Details | binding site for residue MG C 411 |
| Chain | Residue |
| C | HOH551 |
| C | HOH603 |
| C | HOH937 |
| C | HOH943 |
| C | HOH959 |
| C | HOH960 |
| site_id | AG7 |
| Number of Residues | 5 |
| Details | binding site for residue MG C 412 |
| Chain | Residue |
| C | THR132 |
| C | ALA134 |
| C | HOH550 |
| C | HOH774 |
| C | HOH812 |
| site_id | AG8 |
| Number of Residues | 6 |
| Details | binding site for residue MG C 413 |
| Chain | Residue |
| B | HOH785 |
| C | HOH523 |
| C | HOH879 |
| C | HOH904 |
| C | HOH925 |
| C | HOH931 |
| site_id | AG9 |
| Number of Residues | 6 |
| Details | binding site for residue MG C 414 |
| Chain | Residue |
| C | PHE212 |
| C | GLU213 |
| C | MET215 |
| C | ASP243 |
| C | HOH790 |
| C | HOH823 |
| site_id | AH1 |
| Number of Residues | 32 |
| Details | binding site for residue NAD C 415 |
| Chain | Residue |
| C | ALA67 |
| C | GLY68 |
| C | THR88 |
| C | GLY144 |
| C | THR145 |
| C | LEU146 |
| C | ARG166 |
| C | ALA196 |
| C | THR197 |
| C | PRO198 |
| C | THR203 |
| C | VAL224 |
| C | ALA225 |
| C | ARG226 |
| C | ASP250 |
| C | HIS274 |
| C | SER276 |
| C | ALA277 |
| C | NA401 |
| C | SO4408 |
| C | 7N5416 |
| C | HOH503 |
| C | HOH530 |
| C | HOH535 |
| C | HOH562 |
| C | HOH564 |
| C | HOH602 |
| C | HOH623 |
| C | HOH659 |
| C | HOH668 |
| C | HOH676 |
| C | HOH693 |
| site_id | AH2 |
| Number of Residues | 8 |
| Details | binding site for residue 7N5 C 416 |
| Chain | Residue |
| C | ARG66 |
| C | ALA67 |
| C | GLY68 |
| C | HIS91 |
| C | ARG226 |
| C | HIS274 |
| C | ALA277 |
| C | NAD415 |
| site_id | AH3 |
| Number of Residues | 5 |
| Details | binding site for residue NA D 401 |
| Chain | Residue |
| D | THR88 |
| D | THR145 |
| D | NAD412 |
| D | HOH770 |
| D | HOH798 |
| site_id | AH4 |
| Number of Residues | 9 |
| Details | binding site for residue EDO D 402 |
| Chain | Residue |
| C | GLN117 |
| C | HIS118 |
| D | TRP264 |
| D | ASP265 |
| D | PHE266 |
| D | GLU267 |
| D | HOH504 |
| D | HOH505 |
| D | HOH507 |
| site_id | AH5 |
| Number of Residues | 7 |
| Details | binding site for residue EDO D 403 |
| Chain | Residue |
| B | ASP27 |
| B | LEU28 |
| B | ARG291 |
| D | PRO17 |
| D | PRO18 |
| D | GLN19 |
| D | HOH659 |
| site_id | AH6 |
| Number of Residues | 5 |
| Details | binding site for residue EDO D 404 |
| Chain | Residue |
| D | GLY89 |
| D | ILE90 |
| D | ASP285 |
| D | HOH632 |
| D | HOH638 |
| site_id | AH7 |
| Number of Residues | 7 |
| Details | binding site for residue EDO D 405 |
| Chain | Residue |
| C | PRO273 |
| C | HIS274 |
| C | HOH526 |
| D | TRP122 |
| D | LEU124 |
| D | HOH517 |
| D | HOH527 |
| site_id | AH8 |
| Number of Residues | 7 |
| Details | binding site for residue SO4 D 406 |
| Chain | Residue |
| D | ARG165 |
| D | ARG166 |
| D | SER167 |
| D | NAD412 |
| D | HOH522 |
| D | HOH658 |
| D | HOH735 |
| site_id | AH9 |
| Number of Residues | 6 |
| Details | binding site for residue MG D 407 |
| Chain | Residue |
| B | HOH758 |
| D | GLU211 |
| D | HOH545 |
| D | HOH581 |
| D | HOH729 |
| D | HOH764 |
| site_id | AI1 |
| Number of Residues | 6 |
| Details | binding site for residue MG D 408 |
| Chain | Residue |
| D | HOH513 |
| D | HOH531 |
| D | HOH544 |
| D | HOH605 |
| D | HOH803 |
| D | HOH886 |
| site_id | AI2 |
| Number of Residues | 4 |
| Details | binding site for residue MG D 409 |
| Chain | Residue |
| D | THR132 |
| D | ALA134 |
| D | HOH543 |
| D | HOH679 |
| site_id | AI3 |
| Number of Residues | 4 |
| Details | binding site for residue MG D 410 |
| Chain | Residue |
| D | HOH525 |
| D | HOH578 |
| D | HOH607 |
| D | HOH867 |
| site_id | AI4 |
| Number of Residues | 6 |
| Details | binding site for residue MG D 411 |
| Chain | Residue |
| D | PHE212 |
| D | GLU213 |
| D | MET215 |
| D | ASP243 |
| D | HOH786 |
| D | HOH808 |
| site_id | AI5 |
| Number of Residues | 38 |
| Details | binding site for residue NAD D 412 |
| Chain | Residue |
| D | ALA67 |
| D | GLY68 |
| D | THR88 |
| D | GLY142 |
| D | LEU143 |
| D | GLY144 |
| D | THR145 |
| D | LEU146 |
| D | ARG165 |
| D | ARG166 |
| D | PRO180 |
| D | ALA196 |
| D | THR197 |
| D | PRO198 |
| D | THR203 |
| D | VAL224 |
| D | ALA225 |
| D | ARG226 |
| D | ASP250 |
| D | VAL251 |
| D | HIS274 |
| D | SER276 |
| D | ALA277 |
| D | NA401 |
| D | SO4406 |
| D | 7N5413 |
| D | HOH522 |
| D | HOH539 |
| D | HOH552 |
| D | HOH580 |
| D | HOH590 |
| D | HOH599 |
| D | HOH614 |
| D | HOH637 |
| D | HOH642 |
| D | HOH646 |
| D | HOH770 |
| D | HOH785 |
| site_id | AI6 |
| Number of Residues | 8 |
| Details | binding site for residue 7N5 D 413 |
| Chain | Residue |
| D | ARG66 |
| D | ALA67 |
| D | GLY68 |
| D | HIS91 |
| D | ARG226 |
| D | HIS274 |
| D | TYR282 |
| D | NAD412 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 8 |
| Details | ACT_SITE: ACT_SITE => ECO:0000250 |
| Chain | Residue | Details |
| A | ARG226 | |
| A | GLU255 | |
| B | ARG226 | |
| B | GLU255 | |
| C | ARG226 | |
| C | GLU255 | |
| D | ARG226 | |
| D | GLU255 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 4 |
| Details | ACT_SITE: Proton donor => ECO:0000250 |
| Chain | Residue | Details |
| A | HIS274 | |
| B | HIS274 | |
| C | HIS274 | |
| D | HIS274 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 16 |
| Details | BINDING: BINDING => ECO:0000250|UniProtKB:P0A9T0 |
| Chain | Residue | Details |
| A | THR145 | |
| C | VAL224 | |
| C | ASP250 | |
| C | HIS274 | |
| D | THR145 | |
| D | VAL224 | |
| D | ASP250 | |
| D | HIS274 | |
| A | VAL224 | |
| A | ASP250 | |
| A | HIS274 | |
| B | THR145 | |
| B | VAL224 | |
| B | ASP250 | |
| B | HIS274 | |
| C | THR145 |
