4KXY
Human transketolase in complex with ThDP analogue (R)-2-(1,2-dihydroxyethyl)-3-deaza-ThDP
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000287 | molecular_function | magnesium ion binding |
| A | 0003824 | molecular_function | catalytic activity |
| A | 0004802 | molecular_function | transketolase activity |
| A | 0005509 | molecular_function | calcium ion binding |
| A | 0005515 | molecular_function | protein binding |
| A | 0005654 | cellular_component | nucleoplasm |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0005777 | cellular_component | peroxisome |
| A | 0005789 | cellular_component | endoplasmic reticulum membrane |
| A | 0005829 | cellular_component | cytosol |
| A | 0006098 | biological_process | pentose-phosphate shunt |
| A | 0009052 | biological_process | pentose-phosphate shunt, non-oxidative branch |
| A | 0016604 | cellular_component | nuclear body |
| A | 0016740 | molecular_function | transferase activity |
| A | 0030976 | molecular_function | thiamine pyrophosphate binding |
| A | 0031982 | cellular_component | vesicle |
| A | 0040008 | biological_process | regulation of growth |
| A | 0042803 | molecular_function | protein homodimerization activity |
| A | 0046166 | biological_process | glyceraldehyde-3-phosphate biosynthetic process |
| A | 0046872 | molecular_function | metal ion binding |
| A | 0070062 | cellular_component | extracellular exosome |
| A | 1901159 | biological_process | xylulose 5-phosphate biosynthetic process |
| B | 0000287 | molecular_function | magnesium ion binding |
| B | 0003824 | molecular_function | catalytic activity |
| B | 0004802 | molecular_function | transketolase activity |
| B | 0005509 | molecular_function | calcium ion binding |
| B | 0005515 | molecular_function | protein binding |
| B | 0005654 | cellular_component | nucleoplasm |
| B | 0005737 | cellular_component | cytoplasm |
| B | 0005777 | cellular_component | peroxisome |
| B | 0005789 | cellular_component | endoplasmic reticulum membrane |
| B | 0005829 | cellular_component | cytosol |
| B | 0006098 | biological_process | pentose-phosphate shunt |
| B | 0009052 | biological_process | pentose-phosphate shunt, non-oxidative branch |
| B | 0016604 | cellular_component | nuclear body |
| B | 0016740 | molecular_function | transferase activity |
| B | 0030976 | molecular_function | thiamine pyrophosphate binding |
| B | 0031982 | cellular_component | vesicle |
| B | 0040008 | biological_process | regulation of growth |
| B | 0042803 | molecular_function | protein homodimerization activity |
| B | 0046166 | biological_process | glyceraldehyde-3-phosphate biosynthetic process |
| B | 0046872 | molecular_function | metal ion binding |
| B | 0070062 | cellular_component | extracellular exosome |
| B | 1901159 | biological_process | xylulose 5-phosphate biosynthetic process |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE EDO A 701 |
| Chain | Residue |
| A | GLU423 |
| A | LYS597 |
| A | HOH8169 |
| A | HOH8187 |
| B | ALA33 |
| B | ARG101 |
| B | LYS102 |
| B | HOH1549 |
| site_id | AC2 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE EDO A 702 |
| Chain | Residue |
| A | ALA84 |
| A | GLU88 |
| A | GLU94 |
| A | LEU97 |
| A | HOH8490 |
| A | HOH8519 |
| A | ARG21 |
| site_id | AC3 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE EDO A 703 |
| Chain | Residue |
| A | PHE71 |
| A | VAL72 |
| A | LEU73 |
| A | LEU82 |
| A | PHE117 |
| A | THR118 |
| A | HOH8072 |
| A | HOH8088 |
| A | HOH8130 |
| site_id | AC4 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE EDO A 704 |
| Chain | Residue |
| A | TYR564 |
| A | ALA588 |
| A | ASN590 |
| A | HOH8071 |
| A | HOH8079 |
| A | HOH8137 |
| A | HOH8638 |
| site_id | AC5 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE EDO A 705 |
| Chain | Residue |
| A | GLN189 |
| A | SER256 |
| A | TRP257 |
| A | HIS258 |
| A | HOH8056 |
| A | HOH8357 |
| B | ASN344 |
| site_id | AC6 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE EDO A 706 |
| Chain | Residue |
| A | PRO63 |
| A | ASN68 |
| A | ASP69 |
| A | ARG70 |
| A | PHE71 |
| A | ARG379 |
| A | HOH8241 |
| site_id | AC7 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE CA A 707 |
| Chain | Residue |
| A | ASP155 |
| A | ASN185 |
| A | LEU187 |
| A | 1U0709 |
| A | HOH8484 |
| site_id | AC8 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE NA A 708 |
| Chain | Residue |
| A | ASN411 |
| A | ALA461 |
| A | THR464 |
| A | CYS468 |
| A | HOH8041 |
| A | HOH8042 |
| site_id | AC9 |
| Number of Residues | 29 |
| Details | BINDING SITE FOR RESIDUE 1U0 A 709 |
| Chain | Residue |
| A | HIS37 |
| A | SER40 |
| A | LYS75 |
| A | HIS77 |
| A | HIS110 |
| A | GLY123 |
| A | SER124 |
| A | LEU125 |
| A | GLY154 |
| A | ASP155 |
| A | GLY156 |
| A | GLU157 |
| A | GLU160 |
| A | ASN185 |
| A | LEU187 |
| A | GLN189 |
| A | LYS244 |
| A | HIS258 |
| A | CA707 |
| A | HOH8053 |
| A | HOH8484 |
| A | HOH8571 |
| B | ILE364 |
| B | GLU366 |
| B | PHE392 |
| B | ARG395 |
| B | ASP424 |
| B | GLN428 |
| B | HOH1328 |
| site_id | BC1 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE EDO A 710 |
| Chain | Residue |
| A | GLU165 |
| A | PHE169 |
| A | CYS362 |
| A | ASN368 |
| A | HOH8281 |
| A | HOH8553 |
| B | SER159 |
| B | EDO1008 |
| site_id | BC2 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE EDO A 711 |
| Chain | Residue |
| A | GLN10 |
| A | HOH8273 |
| site_id | BC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE EDO A 712 |
| Chain | Residue |
| A | HOH8486 |
| A | HOH8688 |
| A | TYR137 |
| A | TYR141 |
| A | TYR173 |
| A | HOH8383 |
| site_id | BC4 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE EDO A 713 |
| Chain | Residue |
| A | LEU158 |
| A | SER159 |
| A | TRP164 |
| A | HOH8238 |
| A | HOH8437 |
| B | TRP164 |
| B | GLU165 |
| B | PHE209 |
| site_id | BC5 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE EDO A 714 |
| Chain | Residue |
| A | LEU92 |
| A | LEU107 |
| A | GLN115 |
| A | HOH8082 |
| A | HOH8134 |
| A | HOH8183 |
| site_id | BC6 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE EDO A 715 |
| Chain | Residue |
| A | PRO475 |
| A | ASN477 |
| A | VAL510 |
| A | GLU514 |
| A | PRO598 |
| A | LEU602 |
| A | HOH8109 |
| A | HOH8340 |
| site_id | BC7 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE SO4 A 716 |
| Chain | Residue |
| A | ARG318 |
| A | SER345 |
| A | HIS416 |
| A | ARG474 |
| A | HOH8126 |
| A | HOH8284 |
| A | HOH8365 |
| A | HOH8659 |
| site_id | BC8 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE EDO A 717 |
| Chain | Residue |
| A | GLN127 |
| A | ALA131 |
| A | SER371 |
| A | VAL374 |
| A | GLN399 |
| A | ALA403 |
| A | HOH8112 |
| site_id | BC9 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE EDO A 718 |
| Chain | Residue |
| A | ASP333 |
| A | ARG358 |
| A | HOH8602 |
| site_id | CC1 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE EDO B 1001 |
| Chain | Residue |
| B | ARG21 |
| B | ALA84 |
| B | GLU88 |
| B | GLU94 |
| B | LEU97 |
| B | LYS283 |
| B | HOH1514 |
| B | HOH1615 |
| site_id | CC2 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE EDO B 1002 |
| Chain | Residue |
| B | TYR564 |
| B | ALA588 |
| B | ASN590 |
| B | HOH1142 |
| B | HOH1169 |
| B | HOH1429 |
| B | HOH1454 |
| site_id | CC3 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE EDO B 1003 |
| Chain | Residue |
| B | PRO63 |
| B | ASN68 |
| B | ASP69 |
| B | ARG70 |
| B | PHE71 |
| B | ARG379 |
| B | HOH1705 |
| site_id | CC4 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE EDO B 1004 |
| Chain | Residue |
| B | PHE71 |
| B | VAL72 |
| B | LEU73 |
| B | LEU82 |
| B | PHE117 |
| B | THR118 |
| B | HOH1150 |
| B | HOH1160 |
| B | HOH1215 |
| site_id | CC5 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE EDO B 1005 |
| Chain | Residue |
| A | ASN344 |
| B | GLN189 |
| B | SER256 |
| B | TRP257 |
| B | HIS258 |
| B | HOH1153 |
| B | HOH1374 |
| site_id | CC6 |
| Number of Residues | 30 |
| Details | BINDING SITE FOR RESIDUE 1U0 B 1006 |
| Chain | Residue |
| A | ASP341 |
| A | ILE364 |
| A | GLU366 |
| A | PHE392 |
| A | ARG395 |
| A | ASP424 |
| A | GLN428 |
| B | HIS37 |
| B | SER40 |
| B | LYS75 |
| B | HIS77 |
| B | HIS110 |
| B | GLY123 |
| B | SER124 |
| B | LEU125 |
| B | GLY154 |
| B | ASP155 |
| B | GLY156 |
| B | GLU157 |
| B | GLU160 |
| B | ASN185 |
| B | LEU187 |
| B | GLN189 |
| B | LYS244 |
| B | HIS258 |
| B | CA1007 |
| B | HOH1101 |
| B | HOH1122 |
| B | HOH1320 |
| B | HOH1334 |
| site_id | CC7 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE CA B 1007 |
| Chain | Residue |
| B | ASP155 |
| B | ASN185 |
| B | LEU187 |
| B | 1U01006 |
| B | HOH1101 |
| site_id | CC8 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE EDO B 1008 |
| Chain | Residue |
| A | TRP164 |
| A | GLU165 |
| A | PHE209 |
| A | EDO710 |
| B | LEU158 |
| B | SER159 |
| B | TRP164 |
| B | EDO1009 |
| site_id | CC9 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE EDO B 1009 |
| Chain | Residue |
| B | LEU158 |
| B | TRP164 |
| B | ARG205 |
| B | EDO1008 |
| B | HOH1172 |
| B | HOH1202 |
| site_id | DC1 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE EDO B 1010 |
| Chain | Residue |
| B | GLN10 |
| B | HOH1426 |
| site_id | DC2 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE EDO B 1011 |
| Chain | Residue |
| A | ALA33 |
| A | ARG101 |
| A | LYS102 |
| A | HOH8546 |
| B | GLU423 |
| B | LYS597 |
| B | HOH1354 |
| B | HOH1455 |
| site_id | DC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE EDO B 1012 |
| Chain | Residue |
| B | LEU92 |
| B | LEU107 |
| B | GLN115 |
| B | HOH1176 |
| B | HOH1189 |
| B | HOH1228 |
| site_id | DC4 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE SO4 B 1013 |
| Chain | Residue |
| A | HOH8624 |
| B | ARG318 |
| B | SER345 |
| B | HIS416 |
| B | ARG474 |
| B | HOH1208 |
| B | HOH1299 |
| B | HOH1720 |
| B | HOH1724 |
| site_id | DC5 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE NA B 1014 |
| Chain | Residue |
| B | ASN411 |
| B | ALA461 |
| B | THR464 |
| B | CYS468 |
| B | HOH1131 |
| B | HOH1166 |
| site_id | DC6 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE EDO B 1015 |
| Chain | Residue |
| A | PRO441 |
| A | LYS538 |
| A | HOH8347 |
| A | HOH8652 |
| B | TYR563 |
| B | TYR564 |
| B | GLU565 |
| B | VAL589 |
| B | ASN590 |
| B | HOH1295 |
| B | HOH1381 |
| site_id | DC7 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO B 1016 |
| Chain | Residue |
| B | GLN127 |
| B | ALA131 |
| B | SER371 |
| B | HOH1240 |
| site_id | DC8 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE EDO B 1017 |
| Chain | Residue |
| B | TYR137 |
| B | TYR141 |
| B | TYR173 |
| B | HOH1421 |
| B | HOH1589 |
| B | HOH1680 |
Functional Information from PROSITE/UniProt
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 2 |
| Details | ACT_SITE: Proton donor => ECO:0000250 |
| Chain | Residue | Details |
| A | GLU366 | |
| B | GLU366 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 12 |
| Details | BINDING: BINDING => ECO:0000250 |
| Chain | Residue | Details |
| A | HIS37 | |
| B | HIS416 | |
| B | ASP424 | |
| B | ARG474 | |
| A | ARG318 | |
| A | SER345 | |
| A | HIS416 | |
| A | ASP424 | |
| A | ARG474 | |
| B | HIS37 | |
| B | ARG318 | |
| B | SER345 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 22 |
| Details | BINDING: |
| Chain | Residue | Details |
| A | SER40 | |
| A | PHE392 | |
| A | GLN428 | |
| B | SER40 | |
| B | HIS77 | |
| B | GLY123 | |
| B | ASP155 | |
| B | GLY156 | |
| B | ASN185 | |
| B | LEU187 | |
| B | LYS244 | |
| A | HIS77 | |
| B | HIS258 | |
| B | PHE392 | |
| B | GLN428 | |
| A | GLY123 | |
| A | ASP155 | |
| A | GLY156 | |
| A | ASN185 | |
| A | LEU187 | |
| A | LYS244 | |
| A | HIS258 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 4 |
| Details | SITE: Important for catalytic activity => ECO:0000250 |
| Chain | Residue | Details |
| A | HIS37 | |
| A | HIS258 | |
| B | HIS37 | |
| B | HIS258 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 2 |
| Details | MOD_RES: N-acetylmethionine => ECO:0007744|PubMed:22814378 |
| Chain | Residue | Details |
| A | MET1 | |
| B | MET1 |
| site_id | SWS_FT_FI6 |
| Number of Residues | 4 |
| Details | MOD_RES: Phosphoserine => ECO:0007744|PubMed:23186163 |
| Chain | Residue | Details |
| A | SER3 | |
| A | SER104 | |
| B | SER3 | |
| B | SER104 |
| site_id | SWS_FT_FI7 |
| Number of Residues | 14 |
| Details | MOD_RES: N6-acetyllysine => ECO:0007744|PubMed:19608861 |
| Chain | Residue | Details |
| A | LYS6 | |
| B | LYS144 | |
| B | LYS204 | |
| B | LYS241 | |
| B | LYS260 | |
| B | LYS603 | |
| A | LYS11 | |
| A | LYS144 | |
| A | LYS204 | |
| A | LYS241 | |
| A | LYS260 | |
| A | LYS603 | |
| B | LYS6 | |
| B | LYS11 |
| site_id | SWS_FT_FI8 |
| Number of Residues | 4 |
| Details | MOD_RES: N6-acetyllysine => ECO:0000250|UniProtKB:P40142 |
| Chain | Residue | Details |
| A | LYS232 | |
| A | LYS538 | |
| B | LYS232 | |
| B | LYS538 |
| site_id | SWS_FT_FI9 |
| Number of Residues | 2 |
| Details | MOD_RES: Phosphotyrosine => ECO:0007744|PubMed:19690332, ECO:0007744|PubMed:20068231 |
| Chain | Residue | Details |
| A | TYR275 | |
| B | TYR275 |
| site_id | SWS_FT_FI10 |
| Number of Residues | 2 |
| Details | MOD_RES: Phosphothreonine => ECO:0007744|PubMed:19690332, ECO:0007744|PubMed:20068231, ECO:0007744|PubMed:23186163 |
| Chain | Residue | Details |
| A | THR287 | |
| B | THR287 |
| site_id | SWS_FT_FI11 |
| Number of Residues | 2 |
| Details | MOD_RES: Phosphoserine => ECO:0007744|PubMed:18669648, ECO:0007744|PubMed:20068231, ECO:0007744|PubMed:23186163 |
| Chain | Residue | Details |
| A | SER295 | |
| B | SER295 |
| site_id | SWS_FT_FI12 |
| Number of Residues | 2 |
| Details | MOD_RES: Phosphoserine => ECO:0000250|UniProtKB:P50137 |
| Chain | Residue | Details |
| A | SER345 | |
| B | SER345 |
| site_id | SWS_FT_FI13 |
| Number of Residues | 4 |
| Details | CROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in SUMO2) => ECO:0007744|PubMed:28112733 |
| Chain | Residue | Details |
| A | LYS352 | |
| B | LYS352 |
