6M0P
Hydroxylamine oxidoreductase in complex with juglone
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 19 |
| Details | binding site for residue HEC A 601 |
| Chain | Residue |
| A | TYR140 |
| A | HIS267 |
| A | SER277 |
| A | ARG278 |
| A | ARG319 |
| A | LEU320 |
| A | ALA335 |
| A | MET339 |
| A | HIS347 |
| A | HEC602 |
| A | HEC606 |
| A | LYS141 |
| A | CYS196 |
| A | HIS200 |
| A | GLU203 |
| A | HIS228 |
| A | ASN259 |
| A | CYS263 |
| A | CYS266 |
| site_id | AC2 |
| Number of Residues | 16 |
| Details | binding site for residue HEC A 602 |
| Chain | Residue |
| A | THR122 |
| A | HIS123 |
| A | LYS141 |
| A | LYS144 |
| A | LEU145 |
| A | VAL167 |
| A | THR195 |
| A | CYS196 |
| A | CYS199 |
| A | HIS200 |
| A | CYS263 |
| A | HIS267 |
| A | PHE272 |
| A | ALA274 |
| A | HEC601 |
| A | HEC604 |
| site_id | AC3 |
| Number of Residues | 19 |
| Details | binding site for residue HEC A 603 |
| Chain | Residue |
| A | TYR81 |
| A | TYR88 |
| A | SER93 |
| A | ALA98 |
| A | GLU99 |
| A | ASP102 |
| A | CYS103 |
| A | CYS106 |
| A | HIS107 |
| A | GLU110 |
| A | CYS169 |
| A | HIS173 |
| A | HIS184 |
| A | ILE188 |
| A | MET190 |
| A | HEC604 |
| C | SER389 |
| C | GLU390 |
| C | ARG391 |
| site_id | AC4 |
| Number of Residues | 23 |
| Details | binding site for residue HEC A 604 |
| Chain | Residue |
| A | TYR81 |
| A | PRO84 |
| A | HIS107 |
| A | TRP114 |
| A | TRP118 |
| A | HIS123 |
| A | VAL167 |
| A | GLY168 |
| A | CYS169 |
| A | CYS172 |
| A | HIS173 |
| A | MET190 |
| A | PRO191 |
| A | LYS262 |
| A | ASP264 |
| A | ARG269 |
| A | HIS270 |
| A | PHE272 |
| A | HEC602 |
| A | HEC603 |
| C | HIS388 |
| C | SER389 |
| C | PHE392 |
| site_id | AC5 |
| Number of Residues | 21 |
| Details | binding site for residue HEC A 605 |
| Chain | Residue |
| A | HIS287 |
| A | ASN294 |
| A | TYR298 |
| A | HIS303 |
| A | PRO332 |
| A | THR333 |
| A | CYS334 |
| A | CYS337 |
| A | HIS338 |
| A | THR353 |
| A | ARG354 |
| A | TRP355 |
| A | ALA356 |
| A | TRP380 |
| A | MET400 |
| A | ALA482 |
| A | HIS483 |
| A | HEC606 |
| A | HEC607 |
| A | HOH705 |
| A | ISW611 |
| site_id | AC6 |
| Number of Residues | 20 |
| Details | binding site for residue HEC A 606 |
| Chain | Residue |
| A | SER227 |
| A | HIS228 |
| A | ASP231 |
| A | ALA234 |
| A | CYS256 |
| A | HIS257 |
| A | ASN259 |
| A | ASN265 |
| A | ALA282 |
| A | CYS283 |
| A | CYS286 |
| A | HIS287 |
| A | CYS334 |
| A | ILE349 |
| A | THR353 |
| A | ALA356 |
| A | HEC601 |
| A | HEC605 |
| A | ISW611 |
| A | PRO226 |
| site_id | AC7 |
| Number of Residues | 23 |
| Details | binding site for residue HEC A 607 |
| Chain | Residue |
| A | HIS303 |
| A | LEU306 |
| A | PHE324 |
| A | ASN330 |
| A | ALA331 |
| A | PRO332 |
| A | THR383 |
| A | CYS384 |
| A | CYS387 |
| A | HIS388 |
| A | PHE392 |
| A | TYR396 |
| A | VAL484 |
| A | HEC605 |
| E | MET82 |
| E | TRP114 |
| E | MET255 |
| E | LYS262 |
| E | ASP264 |
| E | ASN265 |
| E | THR268 |
| E | ARG269 |
| E | HOH705 |
| site_id | AC8 |
| Number of Residues | 5 |
| Details | binding site for residue PEG A 609 |
| Chain | Residue |
| A | PHE360 |
| A | TYR411 |
| A | ASN415 |
| A | GLY446 |
| A | LEU467 |
| site_id | AC9 |
| Number of Residues | 4 |
| Details | binding site for residue PEG A 610 |
| Chain | Residue |
| A | TYR358 |
| A | PHE360 |
| A | GLU471 |
| A | ISW611 |
| site_id | AD1 |
| Number of Residues | 3 |
| Details | binding site for residue JUG C 608 |
| Chain | Residue |
| C | TRP221 |
| C | GLU471 |
| C | ISW611 |
| site_id | AD2 |
| Number of Residues | 5 |
| Details | binding site for residue 1PE C 609 |
| Chain | Residue |
| C | PHE360 |
| C | TYR411 |
| C | ASN415 |
| C | GLY446 |
| C | LEU467 |
| site_id | AD3 |
| Number of Residues | 3 |
| Details | binding site for residue 1PE C 610 |
| Chain | Residue |
| C | GLU366 |
| C | GLN412 |
| D | PRO32 |
| site_id | AD4 |
| Number of Residues | 7 |
| Details | binding site for residue JUG E 608 |
| Chain | Residue |
| A | ISW608 |
| A | HOH730 |
| E | THR238 |
| E | TYR358 |
| E | PHE448 |
| E | GLU471 |
| E | PEG609 |
| site_id | AD5 |
| Number of Residues | 4 |
| Details | binding site for residue PEG E 609 |
| Chain | Residue |
| E | TYR411 |
| E | PHE445 |
| E | GLY446 |
| E | JUG608 |
| site_id | AD6 |
| Number of Residues | 55 |
| Details | binding site for Di-peptide ISW A 608 and CYS E 256 |
| Chain | Residue |
| A | CYS253 |
| A | THR254 |
| A | MET255 |
| A | HIS257 |
| A | THR258 |
| A | PRO486 |
| A | THR490 |
| A | TYR491 |
| A | HEC606 |
| A | HOH730 |
| C | TRP114 |
| C | MET255 |
| C | LYS262 |
| C | ASP264 |
| C | THR268 |
| C | ARG269 |
| C | PRO486 |
| A | ISW611 |
| E | TRP221 |
| E | ARG225 |
| E | ALA234 |
| E | ASN235 |
| E | THR238 |
| E | TRP241 |
| E | CYS253 |
| E | THR254 |
| E | MET255 |
| E | HIS257 |
| E | THR258 |
| E | THR285 |
| E | CYS286 |
| E | HIS287 |
| E | HIS292 |
| E | ASN294 |
| E | HIS303 |
| E | LEU306 |
| E | PHE324 |
| E | ASN330 |
| E | ALA331 |
| E | PRO332 |
| E | ASN357 |
| E | TYR358 |
| E | THR383 |
| E | CYS384 |
| E | CYS387 |
| E | HIS388 |
| E | PHE392 |
| E | TYR396 |
| E | PHE452 |
| E | VAL484 |
| E | HEC605 |
| E | HEC606 |
| E | JUG608 |
| E | HOH703 |
| E | HOH712 |
| site_id | AD7 |
| Number of Residues | 57 |
| Details | binding site for Di-peptide ISW A 608 and CYS E 253 |
| Chain | Residue |
| A | ASN235 |
| A | ALA250 |
| A | GLU251 |
| A | GLY252 |
| A | THR254 |
| A | MET255 |
| A | CYS256 |
| A | HIS257 |
| A | THR490 |
| A | TYR491 |
| A | HOH730 |
| C | TRP114 |
| C | MET255 |
| C | LYS262 |
| C | ASP264 |
| C | THR268 |
| C | ARG269 |
| A | ISW611 |
| E | TRP221 |
| E | ARG225 |
| E | ALA234 |
| E | ASN235 |
| E | THR238 |
| E | TRP241 |
| E | ALA250 |
| E | GLU251 |
| E | GLY252 |
| E | THR254 |
| E | MET255 |
| E | CYS256 |
| E | HIS257 |
| E | THR285 |
| E | CYS286 |
| E | HIS287 |
| E | HIS292 |
| E | ASN294 |
| E | HIS303 |
| E | LEU306 |
| E | PHE324 |
| E | ASN330 |
| E | ALA331 |
| E | PRO332 |
| E | ASN357 |
| E | TYR358 |
| E | THR383 |
| E | CYS384 |
| E | CYS387 |
| E | HIS388 |
| E | PHE392 |
| E | TYR396 |
| E | PHE452 |
| E | VAL484 |
| E | HEC605 |
| E | HEC606 |
| E | JUG608 |
| E | HOH703 |
| E | HOH712 |
| site_id | AD8 |
| Number of Residues | 29 |
| Details | binding site for Di-peptide ISW C 601 and TYR C 491 |
| Chain | Residue |
| A | TRP221 |
| A | ARG225 |
| A | ALA234 |
| A | ASN235 |
| A | THR238 |
| A | TRP241 |
| A | CYS253 |
| A | CYS256 |
| A | HIS257 |
| A | THR285 |
| A | CYS286 |
| A | HIS287 |
| A | ASP291 |
| A | HIS292 |
| A | ASN294 |
| A | ASN357 |
| A | TYR358 |
| A | PHE448 |
| A | PHE452 |
| A | HEC605 |
| A | HEC606 |
| A | PEG610 |
| A | HOH703 |
| A | HOH708 |
| A | HOH720 |
| A | HOH727 |
| C | THR490 |
| C | THR492 |
| C | GLY496 |
| site_id | AD9 |
| Number of Residues | 29 |
| Details | binding site for Di-peptide ISW C 601 and TYR C 491 |
| Chain | Residue |
| A | TRP221 |
| A | ARG225 |
| A | ALA234 |
| A | ASN235 |
| A | THR238 |
| A | TRP241 |
| A | CYS253 |
| A | CYS256 |
| A | HIS257 |
| A | THR285 |
| A | CYS286 |
| A | HIS287 |
| A | ASP291 |
| A | HIS292 |
| A | ASN294 |
| A | ASN357 |
| A | TYR358 |
| A | PHE448 |
| A | PHE452 |
| A | HEC605 |
| A | HEC606 |
| A | PEG610 |
| A | HOH703 |
| A | HOH708 |
| A | HOH720 |
| A | HOH727 |
| C | THR490 |
| C | THR492 |
| C | GLY496 |
| site_id | AE1 |
| Number of Residues | 25 |
| Details | binding site for Di-peptide HEC C 602 and CYS C 263 |
| Chain | Residue |
| C | TYR140 |
| C | LYS141 |
| C | LYS144 |
| C | ALA193 |
| C | CYS196 |
| C | HIS200 |
| C | GLU203 |
| C | PHE204 |
| C | HIS228 |
| C | ASN259 |
| C | LYS262 |
| C | ASP264 |
| C | ASN265 |
| C | CYS266 |
| C | HIS267 |
| C | SER277 |
| C | ARG278 |
| C | ARG319 |
| C | LEU320 |
| C | ALA335 |
| C | MET339 |
| C | HIS347 |
| C | HEC602 |
| C | HEC606 |
| C | HOH706 |
| site_id | AE2 |
| Number of Residues | 26 |
| Details | binding site for Di-peptide HEC C 602 and CYS C 266 |
| Chain | Residue |
| C | TYR140 |
| C | LYS141 |
| C | LYS144 |
| C | CYS196 |
| C | HIS200 |
| C | GLU203 |
| C | PHE204 |
| C | HIS228 |
| C | ASN259 |
| C | CYS263 |
| C | ASP264 |
| C | ASN265 |
| C | HIS267 |
| C | THR268 |
| C | GLU276 |
| C | SER277 |
| C | ARG278 |
| C | ARG319 |
| C | LEU320 |
| C | ALA335 |
| C | MET339 |
| C | HIS347 |
| C | HEC602 |
| C | HEC606 |
| C | HOH706 |
| C | HOH719 |
| site_id | AE3 |
| Number of Residues | 20 |
| Details | binding site for Di-peptide HEC C 603 and CYS C 196 |
| Chain | Residue |
| C | THR122 |
| C | HIS123 |
| C | LYS141 |
| C | LYS144 |
| C | LEU145 |
| C | VAL148 |
| C | VAL167 |
| C | THR192 |
| C | ALA193 |
| C | ASP194 |
| C | THR195 |
| C | GLY197 |
| C | THR198 |
| C | CYS199 |
| C | HIS200 |
| C | CYS263 |
| C | PHE272 |
| C | ALA274 |
| C | GLU317 |
| C | HEC601 |
| site_id | AE4 |
| Number of Residues | 20 |
| Details | binding site for Di-peptide HEC C 603 and CYS C 199 |
| Chain | Residue |
| C | THR122 |
| C | HIS123 |
| C | LYS141 |
| C | LYS144 |
| C | LEU145 |
| C | VAL148 |
| C | ASN151 |
| C | LEU152 |
| C | VAL167 |
| C | THR195 |
| C | CYS196 |
| C | GLY197 |
| C | THR198 |
| C | HIS200 |
| C | LEU201 |
| C | CYS263 |
| C | PHE272 |
| C | ALA274 |
| C | GLU317 |
| C | HEC601 |
| site_id | AE5 |
| Number of Residues | 25 |
| Details | binding site for Di-peptide HEC C 604 and CYS C 103 |
| Chain | Residue |
| A | LYS161 |
| C | TYR81 |
| C | TYR88 |
| C | PRO91 |
| C | SER93 |
| C | PRO94 |
| C | GLU96 |
| C | ALA98 |
| C | GLU99 |
| C | ARG100 |
| C | LYS101 |
| C | ASP102 |
| C | VAL104 |
| C | GLU105 |
| C | CYS106 |
| C | HIS107 |
| C | GLU110 |
| C | CYS169 |
| C | HIS173 |
| C | HIS184 |
| C | ILE188 |
| C | MET190 |
| C | HEC604 |
| E | SER389 |
| E | ARG391 |
| site_id | AE6 |
| Number of Residues | 25 |
| Details | binding site for Di-peptide HEC C 604 and CYS C 106 |
| Chain | Residue |
| A | LYS161 |
| C | TYR81 |
| C | TYR88 |
| C | PRO91 |
| C | SER93 |
| C | PRO94 |
| C | GLU96 |
| C | ALA98 |
| C | GLU99 |
| C | ASP102 |
| C | CYS103 |
| C | VAL104 |
| C | GLU105 |
| C | HIS107 |
| C | SER108 |
| C | ASP109 |
| C | GLU110 |
| C | CYS169 |
| C | HIS173 |
| C | HIS184 |
| C | ILE188 |
| C | MET190 |
| C | HEC604 |
| E | SER389 |
| E | ARG391 |
| site_id | AE7 |
| Number of Residues | 25 |
| Details | binding site for Di-peptide HEC C 605 and CYS C 172 |
| Chain | Residue |
| C | TYR81 |
| C | PRO84 |
| C | HIS107 |
| C | THR111 |
| C | TRP114 |
| C | VAL115 |
| C | TRP118 |
| C | HIS123 |
| C | VAL167 |
| C | GLY168 |
| C | CYS169 |
| C | ILE170 |
| C | ASP171 |
| C | HIS173 |
| C | VAL174 |
| C | PRO191 |
| C | THR195 |
| C | LYS262 |
| C | ARG269 |
| C | HIS270 |
| C | PHE272 |
| C | HEC603 |
| E | HIS388 |
| E | SER389 |
| E | PHE392 |
| site_id | AE8 |
| Number of Residues | 24 |
| Details | binding site for Di-peptide HEC C 605 and CYS C 169 |
| Chain | Residue |
| C | TYR81 |
| C | PRO84 |
| C | HIS107 |
| C | THR111 |
| C | TRP114 |
| C | VAL115 |
| C | TRP118 |
| C | HIS123 |
| C | VAL167 |
| C | GLY168 |
| C | ILE170 |
| C | ASP171 |
| C | CYS172 |
| C | HIS173 |
| C | PRO191 |
| C | LYS262 |
| C | ARG269 |
| C | HIS270 |
| C | PHE272 |
| C | HEC603 |
| C | HOH714 |
| E | HIS388 |
| E | SER389 |
| E | PHE392 |
| site_id | AE9 |
| Number of Residues | 24 |
| Details | binding site for Di-peptide HEC C 606 and CYS C 337 |
| Chain | Residue |
| C | CYS283 |
| C | HIS287 |
| C | ASN294 |
| C | TYR298 |
| C | HIS303 |
| C | PRO332 |
| C | THR333 |
| C | CYS334 |
| C | ALA335 |
| C | ALA336 |
| C | HIS338 |
| C | LYS352 |
| C | THR353 |
| C | ARG354 |
| C | TRP355 |
| C | ALA356 |
| C | TRP380 |
| C | ALA482 |
| C | HIS483 |
| C | HEC606 |
| C | HEC607 |
| C | HOH705 |
| C | HOH708 |
| C | ISW611 |
| site_id | AF1 |
| Number of Residues | 25 |
| Details | binding site for Di-peptide HEC C 606 and CYS C 334 |
| Chain | Residue |
| C | PRO280 |
| C | CYS283 |
| C | HIS287 |
| C | ASN294 |
| C | TYR298 |
| C | HIS303 |
| C | PRO332 |
| C | THR333 |
| C | ALA335 |
| C | ALA336 |
| C | CYS337 |
| C | HIS338 |
| C | THR353 |
| C | ARG354 |
| C | TRP355 |
| C | ALA356 |
| C | TRP380 |
| C | ALA482 |
| C | HIS483 |
| C | HEC606 |
| C | HEC607 |
| C | HOH705 |
| C | HOH708 |
| C | HOH716 |
| C | ISW611 |
| site_id | AF2 |
| Number of Residues | 23 |
| Details | binding site for Di-peptide HEC C 607 and CYS C 286 |
| Chain | Residue |
| C | PRO226 |
| C | SER227 |
| C | HIS228 |
| C | ASP231 |
| C | CYS256 |
| C | HIS257 |
| C | ASN259 |
| C | ASN265 |
| C | ALA282 |
| C | CYS283 |
| C | ALA284 |
| C | THR285 |
| C | HIS287 |
| C | SER288 |
| C | HIS292 |
| C | CYS334 |
| C | ILE349 |
| C | THR353 |
| C | ALA356 |
| C | HEC601 |
| C | HEC605 |
| C | HOH702 |
| C | ISW611 |
| site_id | AF3 |
| Number of Residues | 23 |
| Details | binding site for Di-peptide HEC C 607 and CYS C 283 |
| Chain | Residue |
| C | PRO226 |
| C | SER227 |
| C | HIS228 |
| C | ASP231 |
| C | CYS256 |
| C | HIS257 |
| C | ASN259 |
| C | ASN265 |
| C | PRO280 |
| C | GLU281 |
| C | ALA282 |
| C | ALA284 |
| C | THR285 |
| C | CYS286 |
| C | HIS287 |
| C | CYS334 |
| C | ILE349 |
| C | THR353 |
| C | ALA356 |
| C | HEC601 |
| C | HEC605 |
| C | HOH702 |
| C | ISW611 |
| site_id | AF4 |
| Number of Residues | 24 |
| Details | binding site for Di-peptide HEC C 608 and CYS C 387 |
| Chain | Residue |
| A | THR111 |
| A | VAL113 |
| A | TRP114 |
| A | MET255 |
| A | LYS262 |
| A | ASP264 |
| A | THR268 |
| A | ARG269 |
| C | HIS303 |
| C | LEU306 |
| C | PHE324 |
| C | ASN330 |
| C | ALA331 |
| C | PRO332 |
| C | TRP380 |
| C | THR383 |
| C | CYS384 |
| C | THR385 |
| C | GLN386 |
| C | HIS388 |
| C | PHE392 |
| C | TYR396 |
| C | VAL484 |
| C | HEC605 |
| site_id | AF5 |
| Number of Residues | 24 |
| Details | binding site for Di-peptide HEC C 608 and CYS C 384 |
| Chain | Residue |
| A | TRP114 |
| A | MET255 |
| A | LYS262 |
| A | ASP264 |
| A | THR268 |
| A | ARG269 |
| C | HIS303 |
| C | LEU306 |
| C | PHE324 |
| C | ASN330 |
| C | ALA331 |
| C | PRO332 |
| C | TRP380 |
| C | VAL381 |
| C | LEU382 |
| C | THR383 |
| C | THR385 |
| C | GLN386 |
| C | CYS387 |
| C | HIS388 |
| C | PHE392 |
| C | TYR396 |
| C | VAL484 |
| C | HEC605 |
| site_id | AF6 |
| Number of Residues | 62 |
| Details | binding site for Di-peptide ISW E 601 and CYS C 256 |
| Chain | Residue |
| A | TRP221 |
| A | ARG225 |
| A | ALA234 |
| A | ASN235 |
| A | THR238 |
| A | TRP241 |
| A | CYS253 |
| A | CYS256 |
| A | HIS257 |
| A | THR285 |
| A | CYS286 |
| A | HIS287 |
| A | HIS292 |
| A | ASN294 |
| A | ASN357 |
| A | TYR358 |
| A | PHE452 |
| A | PRO486 |
| A | HEC605 |
| A | HEC606 |
| A | ISW608 |
| A | PEG610 |
| A | HOH703 |
| A | HOH708 |
| A | HOH720 |
| C | TRP221 |
| C | ARG225 |
| C | ALA234 |
| C | ASN235 |
| C | THR238 |
| C | TRP241 |
| C | CYS253 |
| C | THR254 |
| C | MET255 |
| C | HIS257 |
| C | THR258 |
| C | THR285 |
| C | CYS286 |
| C | HIS287 |
| C | HIS292 |
| C | ASN294 |
| C | ASN357 |
| C | TYR358 |
| C | PHE452 |
| C | THR490 |
| C | TYR491 |
| C | HEC605 |
| C | HEC606 |
| C | JUG608 |
| C | HOH701 |
| C | HOH712 |
| E | CYS253 |
| E | THR254 |
| E | MET255 |
| E | HIS257 |
| E | THR258 |
| E | CYS286 |
| E | PRO486 |
| E | THR490 |
| E | TYR491 |
| E | HEC606 |
| C | HOH724 |
| site_id | AF7 |
| Number of Residues | 29 |
| Details | binding site for Di-peptide ISW E 601 and TYR E 491 |
| Chain | Residue |
| C | TRP221 |
| C | ARG225 |
| C | ALA234 |
| C | ASN235 |
| C | THR238 |
| C | TRP241 |
| C | CYS253 |
| C | CYS256 |
| C | HIS257 |
| C | THR285 |
| C | CYS286 |
| C | HIS287 |
| C | ASP291 |
| C | HIS292 |
| C | ASN294 |
| C | ASN357 |
| C | TYR358 |
| C | PHE448 |
| C | PHE452 |
| C | HEC605 |
| C | HEC606 |
| C | JUG608 |
| C | HOH701 |
| C | HOH711 |
| C | HOH712 |
| E | THR490 |
| E | THR492 |
| E | GLY496 |
| C | HOH724 |
| site_id | AF8 |
| Number of Residues | 29 |
| Details | binding site for Di-peptide ISW E 601 and TYR E 491 |
| Chain | Residue |
| C | TRP221 |
| C | ARG225 |
| C | ALA234 |
| C | ASN235 |
| C | THR238 |
| C | TRP241 |
| C | CYS253 |
| C | CYS256 |
| C | HIS257 |
| C | THR285 |
| C | CYS286 |
| C | HIS287 |
| C | ASP291 |
| C | HIS292 |
| C | ASN294 |
| C | ASN357 |
| C | TYR358 |
| C | PHE448 |
| C | PHE452 |
| C | HEC605 |
| C | HEC606 |
| C | JUG608 |
| C | HOH701 |
| C | HOH711 |
| C | HOH712 |
| E | THR490 |
| E | THR492 |
| E | GLY496 |
| C | HOH724 |
| site_id | AF9 |
| Number of Residues | 63 |
| Details | binding site for Di-peptide ISW E 601 and CYS C 253 |
| Chain | Residue |
| A | TRP221 |
| A | ARG225 |
| A | ALA234 |
| A | ASN235 |
| A | THR238 |
| A | TRP241 |
| A | CYS253 |
| A | CYS256 |
| A | HIS257 |
| A | THR285 |
| A | CYS286 |
| A | HIS287 |
| A | HIS292 |
| A | ASN294 |
| A | ASN357 |
| A | TYR358 |
| A | PHE452 |
| A | HEC605 |
| A | HEC606 |
| A | ISW608 |
| A | PEG610 |
| A | HOH703 |
| A | HOH708 |
| A | HOH720 |
| C | TRP221 |
| C | ARG225 |
| C | ALA234 |
| C | ASN235 |
| C | THR238 |
| C | TRP241 |
| C | ALA250 |
| C | GLU251 |
| C | GLY252 |
| C | THR254 |
| C | MET255 |
| C | CYS256 |
| C | HIS257 |
| C | THR285 |
| C | CYS286 |
| C | HIS287 |
| C | HIS292 |
| C | ASN294 |
| C | ASN357 |
| C | TYR358 |
| C | PHE452 |
| C | THR490 |
| C | TYR491 |
| C | HEC605 |
| C | HEC606 |
| C | JUG608 |
| C | HOH701 |
| C | HOH712 |
| E | ASN235 |
| E | ALA250 |
| E | GLU251 |
| E | GLY252 |
| E | THR254 |
| E | MET255 |
| E | CYS256 |
| E | HIS257 |
| E | THR490 |
| E | TYR491 |
| C | HOH724 |
| site_id | AG1 |
| Number of Residues | 22 |
| Details | binding site for Di-peptide HEC E 602 and CYS E 263 |
| Chain | Residue |
| E | TYR140 |
| E | LYS141 |
| E | ALA193 |
| E | CYS196 |
| E | HIS200 |
| E | GLU203 |
| E | HIS228 |
| E | ASN259 |
| E | LYS262 |
| E | ASP264 |
| E | ASN265 |
| E | CYS266 |
| E | HIS267 |
| E | SER277 |
| E | ARG278 |
| E | ARG319 |
| E | LEU320 |
| E | ALA335 |
| E | MET339 |
| E | HIS347 |
| E | HEC602 |
| E | HEC606 |
| site_id | AG2 |
| Number of Residues | 23 |
| Details | binding site for Di-peptide HEC E 602 and CYS E 266 |
| Chain | Residue |
| E | TYR140 |
| E | LYS141 |
| E | CYS196 |
| E | HIS200 |
| E | GLU203 |
| E | HIS228 |
| E | ASN259 |
| E | CYS263 |
| E | ASP264 |
| E | ASN265 |
| E | HIS267 |
| E | THR268 |
| E | GLU276 |
| E | SER277 |
| E | ARG278 |
| E | ALA282 |
| E | ARG319 |
| E | LEU320 |
| E | ALA335 |
| E | MET339 |
| E | HIS347 |
| E | HEC602 |
| E | HEC606 |
| site_id | AG3 |
| Number of Residues | 20 |
| Details | binding site for Di-peptide HEC E 603 and CYS E 199 |
| Chain | Residue |
| E | THR122 |
| E | HIS123 |
| E | LYS141 |
| E | LEU145 |
| E | VAL148 |
| E | ASN151 |
| E | LEU152 |
| E | VAL167 |
| E | THR195 |
| E | CYS196 |
| E | GLY197 |
| E | THR198 |
| E | HIS200 |
| E | LEU201 |
| E | CYS263 |
| E | HIS267 |
| E | PHE272 |
| E | ALA274 |
| E | HEC601 |
| E | HEC604 |
| site_id | AG4 |
| Number of Residues | 19 |
| Details | binding site for Di-peptide HEC E 603 and CYS E 196 |
| Chain | Residue |
| E | THR122 |
| E | HIS123 |
| E | LYS141 |
| E | LEU145 |
| E | VAL167 |
| E | THR192 |
| E | ALA193 |
| E | ASP194 |
| E | THR195 |
| E | GLY197 |
| E | THR198 |
| E | CYS199 |
| E | HIS200 |
| E | CYS263 |
| E | HIS267 |
| E | PHE272 |
| E | ALA274 |
| E | HEC601 |
| E | HEC604 |
| site_id | AG5 |
| Number of Residues | 22 |
| Details | binding site for Di-peptide HEC E 604 and CYS E 106 |
| Chain | Residue |
| A | SER389 |
| A | GLU390 |
| A | ARG391 |
| E | TYR81 |
| E | TYR88 |
| E | SER93 |
| E | PRO94 |
| E | GLU96 |
| E | ALA98 |
| E | ASP102 |
| E | CYS103 |
| E | VAL104 |
| E | GLU105 |
| E | HIS107 |
| E | SER108 |
| E | ASP109 |
| E | GLU110 |
| E | CYS169 |
| E | HIS173 |
| E | HIS184 |
| E | MET190 |
| E | HEC604 |
| site_id | AG6 |
| Number of Residues | 23 |
| Details | binding site for Di-peptide HEC E 604 and CYS E 103 |
| Chain | Residue |
| A | SER389 |
| A | GLU390 |
| A | ARG391 |
| E | TYR81 |
| E | TYR88 |
| E | SER93 |
| E | PRO94 |
| E | GLU96 |
| E | ALA98 |
| E | GLU99 |
| E | ARG100 |
| E | LYS101 |
| E | ASP102 |
| E | VAL104 |
| E | GLU105 |
| E | CYS106 |
| E | HIS107 |
| E | GLU110 |
| E | CYS169 |
| E | HIS173 |
| E | HIS184 |
| E | MET190 |
| E | HEC604 |
| site_id | AG7 |
| Number of Residues | 27 |
| Details | binding site for Di-peptide HEC E 605 and CYS E 172 |
| Chain | Residue |
| E | ILE170 |
| E | ASP171 |
| E | HIS173 |
| E | VAL174 |
| E | ARG189 |
| E | MET190 |
| E | PRO191 |
| E | THR195 |
| E | LYS262 |
| E | ASP264 |
| E | ARG269 |
| E | HIS270 |
| E | PHE272 |
| E | HEC602 |
| E | HEC603 |
| A | HIS388 |
| A | SER389 |
| A | PHE392 |
| E | TYR81 |
| E | PRO84 |
| E | HIS107 |
| E | TRP114 |
| E | TRP118 |
| E | HIS123 |
| E | VAL167 |
| E | GLY168 |
| E | CYS169 |
| site_id | AG8 |
| Number of Residues | 25 |
| Details | binding site for Di-peptide HEC E 605 and CYS E 169 |
| Chain | Residue |
| A | HIS388 |
| A | SER389 |
| A | PHE392 |
| E | TYR81 |
| E | PRO84 |
| E | CYS103 |
| E | HIS107 |
| E | TRP114 |
| E | TRP118 |
| E | HIS123 |
| E | VAL167 |
| E | GLY168 |
| E | ILE170 |
| E | ASP171 |
| E | CYS172 |
| E | HIS173 |
| E | MET190 |
| E | PRO191 |
| E | LYS262 |
| E | ASP264 |
| E | ARG269 |
| E | HIS270 |
| E | PHE272 |
| E | HEC602 |
| E | HEC603 |
| site_id | AG9 |
| Number of Residues | 21 |
| Details | binding site for Di-peptide HEC E 606 and CYS E 337 |
| Chain | Residue |
| A | ISW608 |
| E | HIS287 |
| E | ASN294 |
| E | TYR298 |
| E | HIS303 |
| E | PRO332 |
| E | THR333 |
| E | CYS334 |
| E | ALA335 |
| E | ALA336 |
| E | HIS338 |
| E | LYS352 |
| E | THR353 |
| E | ARG354 |
| E | TRP355 |
| E | TRP380 |
| E | ALA482 |
| E | HIS483 |
| E | HEC606 |
| E | HEC607 |
| E | HOH711 |
| site_id | AH1 |
| Number of Residues | 22 |
| Details | binding site for Di-peptide HEC E 606 and CYS E 334 |
| Chain | Residue |
| A | ISW608 |
| E | PRO280 |
| E | CYS283 |
| E | HIS287 |
| E | ASN294 |
| E | TYR298 |
| E | HIS303 |
| E | PRO332 |
| E | THR333 |
| E | ALA335 |
| E | ALA336 |
| E | CYS337 |
| E | HIS338 |
| E | THR353 |
| E | ARG354 |
| E | TRP355 |
| E | TRP380 |
| E | ALA482 |
| E | HIS483 |
| E | HEC606 |
| E | HEC607 |
| E | HOH711 |
| site_id | AH2 |
| Number of Residues | 24 |
| Details | binding site for Di-peptide HEC E 607 and CYS E 286 |
| Chain | Residue |
| A | ISW608 |
| E | PRO226 |
| E | SER227 |
| E | HIS228 |
| E | ASP231 |
| E | ALA234 |
| E | CYS256 |
| E | HIS257 |
| E | ASN259 |
| E | ASN265 |
| E | ALA282 |
| E | CYS283 |
| E | ALA284 |
| E | THR285 |
| E | HIS287 |
| E | SER288 |
| E | HIS292 |
| E | CYS334 |
| E | HIS338 |
| E | ILE349 |
| E | THR353 |
| E | ALA356 |
| E | HEC601 |
| E | HEC605 |
| site_id | AH3 |
| Number of Residues | 24 |
| Details | binding site for Di-peptide HEC E 607 and CYS E 283 |
| Chain | Residue |
| A | ISW608 |
| E | PRO226 |
| E | SER227 |
| E | HIS228 |
| E | ASP231 |
| E | ALA234 |
| E | CYS256 |
| E | HIS257 |
| E | ASN259 |
| E | ASN265 |
| E | PRO280 |
| E | GLU281 |
| E | ALA282 |
| E | ALA284 |
| E | THR285 |
| E | CYS286 |
| E | HIS287 |
| E | CYS334 |
| E | HIS338 |
| E | ILE349 |
| E | THR353 |
| E | ALA356 |
| E | HEC601 |
| E | HEC605 |
| site_id | AH4 |
| Number of Residues | 23 |
| Details | binding site for Di-peptide HEC E 608 and CYS E 387 |
| Chain | Residue |
| C | THR111 |
| C | VAL113 |
| C | TRP114 |
| C | MET255 |
| C | LYS262 |
| C | ASP264 |
| C | THR268 |
| C | ARG269 |
| E | HIS303 |
| E | LEU306 |
| E | PHE324 |
| E | ASN330 |
| E | ALA331 |
| E | PRO332 |
| E | THR383 |
| E | CYS384 |
| E | THR385 |
| E | GLN386 |
| E | HIS388 |
| E | PHE392 |
| E | TYR396 |
| E | VAL484 |
| E | HEC605 |
| site_id | AH5 |
| Number of Residues | 25 |
| Details | binding site for Di-peptide HEC E 608 and CYS E 384 |
| Chain | Residue |
| C | TRP114 |
| C | MET255 |
| C | LYS262 |
| C | ASP264 |
| C | THR268 |
| C | ARG269 |
| E | HIS303 |
| E | LEU306 |
| E | PHE324 |
| E | ASN330 |
| E | ALA331 |
| E | PRO332 |
| E | TRP380 |
| E | VAL381 |
| E | LEU382 |
| E | THR383 |
| E | THR385 |
| E | GLN386 |
| E | CYS387 |
| E | HIS388 |
| E | PHE392 |
| E | ALA393 |
| E | TYR396 |
| E | VAL484 |
| E | HEC605 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 48 |
| Details | Binding site: {"description":"covalent","evidences":[{"source":"PubMed","id":"24302732","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9095195","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1FGJ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4N4N","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4N4O","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 45 |
| Details | Binding site: {"description":"axial binding residue","evidences":[{"source":"PubMed","id":"24302732","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9095195","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1FGJ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4N4N","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4N4O","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 3 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"24302732","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"4N4O","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 3 |
| Details | Binding site: {"description":"covalent; ligand shared between tetrameric partners","evidences":[{"source":"PubMed","id":"24302732","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
Catalytic Information from CSA
| site_id | MCSA1 |
| Number of Residues | 5 |
| Details | M-CSA 581 |
| Chain | Residue | Details |
| A | HIS257 | electrostatic stabiliser |
| A | ASP291 | steric role |
| A | HIS292 | steric role |
| A | TYR358 | steric role |
| A | TYR491 | activator, covalently attached |
| site_id | MCSA2 |
| Number of Residues | 5 |
| Details | M-CSA 581 |
| Chain | Residue | Details |
| C | HIS257 | electrostatic stabiliser |
| C | ASP291 | steric role |
| C | HIS292 | steric role |
| C | TYR358 | steric role |
| C | TYR491 | activator, covalently attached |
| site_id | MCSA3 |
| Number of Residues | 5 |
| Details | M-CSA 581 |
| Chain | Residue | Details |
| E | HIS257 | electrostatic stabiliser |
| E | ASP291 | steric role |
| E | HIS292 | steric role |
| E | TYR358 | steric role |
| E | TYR491 | activator, covalently attached |
