6TXA
Crystal structure of tetrameric human D137N-SAMHD1 (residues 109-626) with XTP, dGMPNPP and Mg
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 6 |
| Details | binding site for residue FE A 701 |
| Chain | Residue |
| A | ARG164 |
| A | HIS167 |
| A | HIS206 |
| A | ASP207 |
| A | ASP311 |
| A | XG4705 |
| site_id | AC2 |
| Number of Residues | 3 |
| Details | binding site for residue MG A 702 |
| Chain | Residue |
| A | ASP207 |
| A | HIS233 |
| A | XG4705 |
| site_id | AC3 |
| Number of Residues | 2 |
| Details | binding site for residue MG A 703 |
| Chain | Residue |
| A | ASP309 |
| A | XG4705 |
| site_id | AC4 |
| Number of Residues | 2 |
| Details | binding site for residue MG A 704 |
| Chain | Residue |
| A | CZF706 |
| C | XG4701 |
| site_id | AC5 |
| Number of Residues | 18 |
| Details | binding site for residue XG4 A 705 |
| Chain | Residue |
| A | GLN149 |
| A | LEU150 |
| A | ARG164 |
| A | HIS167 |
| A | ASP207 |
| A | HIS210 |
| A | HIS215 |
| A | HIS233 |
| A | ASP311 |
| A | LYS312 |
| A | TYR315 |
| A | ASP319 |
| A | ARG366 |
| A | TYR374 |
| A | GLN375 |
| A | FE701 |
| A | MG702 |
| A | MG703 |
| site_id | AC6 |
| Number of Residues | 14 |
| Details | binding site for residue CZF A 706 |
| Chain | Residue |
| A | LYS116 |
| A | VAL117 |
| A | ILE118 |
| A | ASN137 |
| A | GLN142 |
| A | ARG145 |
| A | PHE165 |
| A | MG704 |
| B | TYR155 |
| B | VAL156 |
| B | VAL378 |
| B | ARG451 |
| C | LYS523 |
| C | XG4701 |
| site_id | AC7 |
| Number of Residues | 4 |
| Details | binding site for residue SO4 A 707 |
| Chain | Residue |
| A | ARG305 |
| A | ARG348 |
| A | HIS517 |
| A | ARG531 |
| site_id | AC8 |
| Number of Residues | 17 |
| Details | binding site for residue XG4 A 708 |
| Chain | Residue |
| A | ASP330 |
| A | ARG333 |
| A | ARG352 |
| A | LYS354 |
| A | ASN358 |
| A | LYS523 |
| C | VAL117 |
| C | ASN119 |
| C | MG705 |
| C | CZF707 |
| D | VAL156 |
| D | PHE157 |
| D | GLY324 |
| D | ILE325 |
| D | ARG372 |
| D | HIS376 |
| D | LYS377 |
| site_id | AC9 |
| Number of Residues | 7 |
| Details | binding site for residue FE B 701 |
| Chain | Residue |
| B | ARG164 |
| B | HIS167 |
| B | HIS206 |
| B | ASP207 |
| B | ASP311 |
| B | MG702 |
| B | XG4705 |
| site_id | AD1 |
| Number of Residues | 5 |
| Details | binding site for residue MG B 702 |
| Chain | Residue |
| B | HIS206 |
| B | ASP207 |
| B | HIS233 |
| B | FE701 |
| B | XG4705 |
| site_id | AD2 |
| Number of Residues | 3 |
| Details | binding site for residue MG B 703 |
| Chain | Residue |
| B | ASP309 |
| B | LYS312 |
| B | XG4705 |
| site_id | AD3 |
| Number of Residues | 2 |
| Details | binding site for residue MG B 704 |
| Chain | Residue |
| B | CZF706 |
| D | XG4701 |
| site_id | AD4 |
| Number of Residues | 19 |
| Details | binding site for residue XG4 B 705 |
| Chain | Residue |
| B | FE701 |
| B | MG702 |
| B | MG703 |
| B | GLN149 |
| B | LEU150 |
| B | ARG164 |
| B | HIS167 |
| B | ASP207 |
| B | HIS210 |
| B | HIS215 |
| B | HIS233 |
| B | ASP311 |
| B | LYS312 |
| B | TYR315 |
| B | ASP319 |
| B | ARG366 |
| B | HIS370 |
| B | TYR374 |
| B | GLN375 |
| site_id | AD5 |
| Number of Residues | 14 |
| Details | binding site for residue CZF B 706 |
| Chain | Residue |
| A | TYR155 |
| A | VAL156 |
| A | VAL378 |
| A | ARG451 |
| B | LYS116 |
| B | VAL117 |
| B | ILE118 |
| B | ASN137 |
| B | GLN142 |
| B | ARG145 |
| B | PHE165 |
| B | MG704 |
| D | LYS523 |
| D | XG4701 |
| site_id | AD6 |
| Number of Residues | 4 |
| Details | binding site for residue SO4 B 707 |
| Chain | Residue |
| B | ARG305 |
| B | ARG348 |
| B | HIS517 |
| B | ARG531 |
| site_id | AD7 |
| Number of Residues | 19 |
| Details | binding site for residue XG4 B 708 |
| Chain | Residue |
| B | ASP330 |
| B | ARG333 |
| B | ARG352 |
| B | LYS354 |
| B | ASN358 |
| B | LYS523 |
| C | VAL156 |
| C | PHE157 |
| C | GLY324 |
| C | ILE325 |
| C | ARG372 |
| C | HIS376 |
| C | LYS377 |
| C | CZF709 |
| D | VAL117 |
| D | ILE118 |
| D | ASN119 |
| D | HIS125 |
| D | MG705 |
| site_id | AD8 |
| Number of Residues | 14 |
| Details | binding site for residue XG4 C 701 |
| Chain | Residue |
| A | VAL117 |
| A | ASN119 |
| A | MG704 |
| A | CZF706 |
| B | VAL156 |
| B | PHE157 |
| B | ARG372 |
| B | HIS376 |
| B | LYS377 |
| C | ARG333 |
| C | ARG352 |
| C | LYS354 |
| C | ASN358 |
| C | LYS523 |
| site_id | AD9 |
| Number of Residues | 7 |
| Details | binding site for residue FE C 702 |
| Chain | Residue |
| C | ARG164 |
| C | HIS167 |
| C | HIS206 |
| C | ASP207 |
| C | ASP311 |
| C | MG703 |
| C | XG4706 |
| site_id | AE1 |
| Number of Residues | 5 |
| Details | binding site for residue MG C 703 |
| Chain | Residue |
| C | HIS206 |
| C | ASP207 |
| C | HIS233 |
| C | FE702 |
| C | XG4706 |
| site_id | AE2 |
| Number of Residues | 3 |
| Details | binding site for residue MG C 704 |
| Chain | Residue |
| C | ASP309 |
| C | LYS312 |
| C | XG4706 |
| site_id | AE3 |
| Number of Residues | 2 |
| Details | binding site for residue MG C 705 |
| Chain | Residue |
| A | XG4708 |
| C | CZF707 |
| site_id | AE4 |
| Number of Residues | 19 |
| Details | binding site for residue XG4 C 706 |
| Chain | Residue |
| C | GLN149 |
| C | LEU150 |
| C | ARG164 |
| C | HIS167 |
| C | ASP207 |
| C | HIS210 |
| C | HIS215 |
| C | HIS233 |
| C | ASP311 |
| C | LYS312 |
| C | TYR315 |
| C | ASP319 |
| C | ARG366 |
| C | HIS370 |
| C | TYR374 |
| C | GLN375 |
| C | FE702 |
| C | MG703 |
| C | MG704 |
| site_id | AE5 |
| Number of Residues | 14 |
| Details | binding site for residue CZF C 707 |
| Chain | Residue |
| A | LYS523 |
| A | XG4708 |
| C | LYS116 |
| C | VAL117 |
| C | ILE118 |
| C | ASN137 |
| C | GLN142 |
| C | ARG145 |
| C | PHE165 |
| C | MG705 |
| D | TYR155 |
| D | VAL156 |
| D | VAL378 |
| D | ARG451 |
| site_id | AE6 |
| Number of Residues | 4 |
| Details | binding site for residue SO4 C 708 |
| Chain | Residue |
| C | ARG305 |
| C | ARG348 |
| C | HIS517 |
| C | ARG531 |
| site_id | AE7 |
| Number of Residues | 14 |
| Details | binding site for residue CZF C 709 |
| Chain | Residue |
| B | LYS523 |
| B | XG4708 |
| C | TYR155 |
| C | VAL156 |
| C | VAL378 |
| C | ARG451 |
| D | LYS116 |
| D | VAL117 |
| D | ILE118 |
| D | ASN137 |
| D | GLN142 |
| D | ARG145 |
| D | PHE165 |
| D | MG705 |
| site_id | AE8 |
| Number of Residues | 17 |
| Details | binding site for residue XG4 D 701 |
| Chain | Residue |
| A | VAL156 |
| A | PHE157 |
| A | GLY324 |
| A | ARG372 |
| A | HIS376 |
| A | LYS377 |
| B | VAL117 |
| B | ASN119 |
| B | HIS125 |
| B | MG704 |
| B | CZF706 |
| D | ASP330 |
| D | ARG333 |
| D | ARG352 |
| D | LYS354 |
| D | ASN358 |
| D | LYS523 |
| site_id | AE9 |
| Number of Residues | 7 |
| Details | binding site for residue FE D 702 |
| Chain | Residue |
| D | ARG164 |
| D | HIS167 |
| D | HIS206 |
| D | ASP207 |
| D | ASP311 |
| D | MG703 |
| D | XG4706 |
| site_id | AF1 |
| Number of Residues | 5 |
| Details | binding site for residue MG D 703 |
| Chain | Residue |
| D | HIS206 |
| D | ASP207 |
| D | HIS233 |
| D | FE702 |
| D | XG4706 |
| site_id | AF2 |
| Number of Residues | 2 |
| Details | binding site for residue MG D 704 |
| Chain | Residue |
| D | ASP309 |
| D | XG4706 |
| site_id | AF3 |
| Number of Residues | 2 |
| Details | binding site for residue MG D 705 |
| Chain | Residue |
| B | XG4708 |
| C | CZF709 |
| site_id | AF4 |
| Number of Residues | 18 |
| Details | binding site for residue XG4 D 706 |
| Chain | Residue |
| D | GLN149 |
| D | LEU150 |
| D | ARG164 |
| D | HIS167 |
| D | ASP207 |
| D | HIS215 |
| D | HIS233 |
| D | ASP311 |
| D | LYS312 |
| D | TYR315 |
| D | ASP319 |
| D | ARG366 |
| D | HIS370 |
| D | TYR374 |
| D | GLN375 |
| D | FE702 |
| D | MG703 |
| D | MG704 |
| site_id | AF5 |
| Number of Residues | 4 |
| Details | binding site for residue SO4 D 707 |
| Chain | Residue |
| D | ARG305 |
| D | ARG348 |
| D | HIS517 |
| D | ARG531 |
| site_id | AF6 |
| Number of Residues | 7 |
| Details | binding site for residue FE E 701 |
| Chain | Residue |
| E | ARG164 |
| E | HIS167 |
| E | HIS206 |
| E | ASP207 |
| E | ASP311 |
| E | MG702 |
| E | XG4705 |
| site_id | AF7 |
| Number of Residues | 5 |
| Details | binding site for residue MG E 702 |
| Chain | Residue |
| E | HIS206 |
| E | ASP207 |
| E | HIS233 |
| E | FE701 |
| E | XG4705 |
| site_id | AF8 |
| Number of Residues | 3 |
| Details | binding site for residue MG E 703 |
| Chain | Residue |
| E | ASP309 |
| E | LYS312 |
| E | XG4705 |
| site_id | AF9 |
| Number of Residues | 2 |
| Details | binding site for residue MG E 704 |
| Chain | Residue |
| E | CZF706 |
| G | XG4701 |
| site_id | AG1 |
| Number of Residues | 19 |
| Details | binding site for residue XG4 E 705 |
| Chain | Residue |
| E | GLN149 |
| E | LEU150 |
| E | ARG164 |
| E | HIS167 |
| E | ASP207 |
| E | HIS210 |
| E | HIS215 |
| E | HIS233 |
| E | ASP311 |
| E | LYS312 |
| E | TYR315 |
| E | ASP319 |
| E | ARG366 |
| E | HIS370 |
| E | TYR374 |
| E | GLN375 |
| E | FE701 |
| E | MG702 |
| E | MG703 |
| site_id | AG2 |
| Number of Residues | 14 |
| Details | binding site for residue CZF E 706 |
| Chain | Residue |
| E | LYS116 |
| E | VAL117 |
| E | ILE118 |
| E | ASN137 |
| E | GLN142 |
| E | ARG145 |
| E | PHE165 |
| E | MG704 |
| F | TYR155 |
| F | VAL156 |
| F | VAL378 |
| F | ARG451 |
| G | LYS523 |
| G | XG4701 |
| site_id | AG3 |
| Number of Residues | 4 |
| Details | binding site for residue SO4 E 707 |
| Chain | Residue |
| E | ARG305 |
| E | ARG348 |
| E | HIS517 |
| E | ARG531 |
| site_id | AG4 |
| Number of Residues | 15 |
| Details | binding site for residue XG4 E 708 |
| Chain | Residue |
| E | ARG333 |
| E | ARG352 |
| E | LYS354 |
| E | ASN358 |
| E | LYS523 |
| G | VAL117 |
| G | ASN119 |
| G | MG705 |
| G | CZF707 |
| H | VAL156 |
| H | PHE157 |
| H | ILE325 |
| H | ARG372 |
| H | HIS376 |
| H | LYS377 |
| site_id | AG5 |
| Number of Residues | 7 |
| Details | binding site for residue FE F 701 |
| Chain | Residue |
| F | ARG164 |
| F | HIS167 |
| F | HIS206 |
| F | ASP207 |
| F | ASP311 |
| F | MG702 |
| F | XG4705 |
| site_id | AG6 |
| Number of Residues | 6 |
| Details | binding site for residue MG F 702 |
| Chain | Residue |
| F | HIS206 |
| F | ASP207 |
| F | HIS233 |
| F | ASP311 |
| F | FE701 |
| F | XG4705 |
| site_id | AG7 |
| Number of Residues | 3 |
| Details | binding site for residue MG F 703 |
| Chain | Residue |
| F | ASP309 |
| F | LYS312 |
| F | XG4705 |
| site_id | AG8 |
| Number of Residues | 2 |
| Details | binding site for residue MG F 704 |
| Chain | Residue |
| F | CZF706 |
| H | XG4701 |
| site_id | AG9 |
| Number of Residues | 18 |
| Details | binding site for residue XG4 F 705 |
| Chain | Residue |
| F | GLN149 |
| F | LEU150 |
| F | ARG164 |
| F | HIS167 |
| F | ASP207 |
| F | HIS210 |
| F | HIS215 |
| F | HIS233 |
| F | ASP311 |
| F | LYS312 |
| F | TYR315 |
| F | ASP319 |
| F | ARG366 |
| F | TYR374 |
| F | GLN375 |
| F | FE701 |
| F | MG702 |
| F | MG703 |
| site_id | AH1 |
| Number of Residues | 15 |
| Details | binding site for residue CZF F 706 |
| Chain | Residue |
| E | TYR155 |
| E | VAL156 |
| E | VAL378 |
| E | ARG451 |
| E | LYS455 |
| F | LYS116 |
| F | VAL117 |
| F | ILE118 |
| F | ASN137 |
| F | GLN142 |
| F | ARG145 |
| F | PHE165 |
| F | MG704 |
| H | LYS523 |
| H | XG4701 |
| site_id | AH2 |
| Number of Residues | 4 |
| Details | binding site for residue SO4 F 707 |
| Chain | Residue |
| F | ARG305 |
| F | ARG348 |
| F | HIS517 |
| F | ARG531 |
| site_id | AH3 |
| Number of Residues | 16 |
| Details | binding site for residue XG4 F 708 |
| Chain | Residue |
| F | ASP330 |
| F | ARG333 |
| F | ARG352 |
| F | LYS354 |
| F | ASN358 |
| F | LYS523 |
| G | VAL156 |
| G | PHE157 |
| G | ARG372 |
| G | HIS376 |
| G | LYS377 |
| H | VAL117 |
| H | ASN119 |
| H | HIS125 |
| H | MG705 |
| H | CZF707 |
| site_id | AH4 |
| Number of Residues | 17 |
| Details | binding site for residue XG4 G 701 |
| Chain | Residue |
| E | VAL117 |
| E | ASN119 |
| E | HIS125 |
| E | MG704 |
| E | CZF706 |
| F | VAL156 |
| F | PHE157 |
| F | GLY324 |
| F | ARG372 |
| F | HIS376 |
| F | LYS377 |
| G | ASP330 |
| G | ARG333 |
| G | ARG352 |
| G | LYS354 |
| G | ASN358 |
| G | LYS523 |
| site_id | AH5 |
| Number of Residues | 7 |
| Details | binding site for residue FE G 702 |
| Chain | Residue |
| G | ARG164 |
| G | HIS167 |
| G | HIS206 |
| G | ASP207 |
| G | ASP311 |
| G | MG703 |
| G | XG4706 |
| site_id | AH6 |
| Number of Residues | 6 |
| Details | binding site for residue MG G 703 |
| Chain | Residue |
| G | HIS206 |
| G | ASP207 |
| G | HIS233 |
| G | ASP311 |
| G | FE702 |
| G | XG4706 |
| site_id | AH7 |
| Number of Residues | 3 |
| Details | binding site for residue MG G 704 |
| Chain | Residue |
| G | ASP309 |
| G | LYS312 |
| G | XG4706 |
| site_id | AH8 |
| Number of Residues | 2 |
| Details | binding site for residue MG G 705 |
| Chain | Residue |
| E | XG4708 |
| G | CZF707 |
| site_id | AH9 |
| Number of Residues | 18 |
| Details | binding site for residue XG4 G 706 |
| Chain | Residue |
| G | GLN149 |
| G | LEU150 |
| G | ARG164 |
| G | HIS167 |
| G | ASP207 |
| G | HIS210 |
| G | HIS215 |
| G | HIS233 |
| G | ASP311 |
| G | LYS312 |
| G | TYR315 |
| G | ASP319 |
| G | ARG366 |
| G | TYR374 |
| G | GLN375 |
| G | FE702 |
| G | MG703 |
| G | MG704 |
| site_id | AI1 |
| Number of Residues | 15 |
| Details | binding site for residue CZF G 707 |
| Chain | Residue |
| E | LYS523 |
| E | XG4708 |
| G | LYS116 |
| G | VAL117 |
| G | ILE118 |
| G | ASN137 |
| G | GLN142 |
| G | ARG145 |
| G | PHE165 |
| G | MG705 |
| H | TYR155 |
| H | VAL156 |
| H | VAL378 |
| H | ARG451 |
| H | LYS455 |
| site_id | AI2 |
| Number of Residues | 4 |
| Details | binding site for residue SO4 G 708 |
| Chain | Residue |
| G | ARG305 |
| G | ARG348 |
| G | HIS517 |
| G | ARG531 |
| site_id | AI3 |
| Number of Residues | 17 |
| Details | binding site for residue XG4 H 701 |
| Chain | Residue |
| E | VAL156 |
| E | PHE157 |
| E | GLY324 |
| E | ARG372 |
| E | HIS376 |
| E | LYS377 |
| F | VAL117 |
| F | ASN119 |
| F | HIS125 |
| F | MG704 |
| F | CZF706 |
| H | ASP330 |
| H | ARG333 |
| H | ARG352 |
| H | LYS354 |
| H | ASN358 |
| H | LYS523 |
| site_id | AI4 |
| Number of Residues | 7 |
| Details | binding site for residue FE H 702 |
| Chain | Residue |
| H | ARG164 |
| H | HIS167 |
| H | HIS206 |
| H | ASP207 |
| H | ASP311 |
| H | MG703 |
| H | XG4706 |
| site_id | AI5 |
| Number of Residues | 5 |
| Details | binding site for residue MG H 703 |
| Chain | Residue |
| H | HIS206 |
| H | ASP207 |
| H | HIS233 |
| H | FE702 |
| H | XG4706 |
| site_id | AI6 |
| Number of Residues | 3 |
| Details | binding site for residue MG H 704 |
| Chain | Residue |
| H | ASP309 |
| H | LYS312 |
| H | XG4706 |
| site_id | AI7 |
| Number of Residues | 2 |
| Details | binding site for residue MG H 705 |
| Chain | Residue |
| F | XG4708 |
| H | CZF707 |
| site_id | AI8 |
| Number of Residues | 18 |
| Details | binding site for residue XG4 H 706 |
| Chain | Residue |
| H | GLN149 |
| H | LEU150 |
| H | ARG164 |
| H | HIS167 |
| H | ASP207 |
| H | HIS210 |
| H | HIS215 |
| H | HIS233 |
| H | ASP311 |
| H | LYS312 |
| H | TYR315 |
| H | ASP319 |
| H | ARG366 |
| H | TYR374 |
| H | GLN375 |
| H | FE702 |
| H | MG703 |
| H | MG704 |
| site_id | AI9 |
| Number of Residues | 15 |
| Details | binding site for residue CZF H 707 |
| Chain | Residue |
| F | LYS523 |
| F | XG4708 |
| G | TYR155 |
| G | VAL156 |
| G | LYS377 |
| G | VAL378 |
| G | ARG451 |
| H | LYS116 |
| H | VAL117 |
| H | ILE118 |
| H | ASN137 |
| H | GLN142 |
| H | ARG145 |
| H | PHE165 |
| H | MG705 |
| site_id | AJ1 |
| Number of Residues | 4 |
| Details | binding site for residue SO4 H 708 |
| Chain | Residue |
| H | ARG305 |
| H | ARG348 |
| H | HIS517 |
| H | ARG531 |
| site_id | AJ2 |
| Number of Residues | 7 |
| Details | binding site for residue FE I 701 |
| Chain | Residue |
| I | ARG164 |
| I | HIS167 |
| I | HIS206 |
| I | ASP207 |
| I | ASP311 |
| I | MG702 |
| I | XG4705 |
| site_id | AJ3 |
| Number of Residues | 5 |
| Details | binding site for residue MG I 702 |
| Chain | Residue |
| I | HIS206 |
| I | ASP207 |
| I | HIS233 |
| I | FE701 |
| I | XG4705 |
| site_id | AJ4 |
| Number of Residues | 2 |
| Details | binding site for residue MG I 703 |
| Chain | Residue |
| I | ASP309 |
| I | XG4705 |
| site_id | AJ5 |
| Number of Residues | 2 |
| Details | binding site for residue MG I 704 |
| Chain | Residue |
| J | CZF701 |
| K | XG4701 |
| site_id | AJ6 |
| Number of Residues | 19 |
| Details | binding site for residue XG4 I 705 |
| Chain | Residue |
| I | GLN149 |
| I | LEU150 |
| I | ARG164 |
| I | HIS167 |
| I | ASP207 |
| I | HIS210 |
| I | HIS215 |
| I | HIS233 |
| I | ASP311 |
| I | LYS312 |
| I | TYR315 |
| I | ASP319 |
| I | ARG366 |
| I | HIS370 |
| I | TYR374 |
| I | GLN375 |
| I | FE701 |
| I | MG702 |
| I | MG703 |
| site_id | AJ7 |
| Number of Residues | 4 |
| Details | binding site for residue SO4 I 706 |
| Chain | Residue |
| I | ARG305 |
| I | ARG348 |
| I | HIS517 |
| I | ARG531 |
| site_id | AJ8 |
| Number of Residues | 16 |
| Details | binding site for residue XG4 I 707 |
| Chain | Residue |
| I | VAL156 |
| I | PHE157 |
| I | GLY324 |
| I | ILE325 |
| I | ARG372 |
| I | HIS376 |
| I | LYS377 |
| J | VAL117 |
| J | ASN119 |
| J | MG705 |
| J | CZF707 |
| L | ARG333 |
| L | ARG352 |
| L | LYS354 |
| L | ASN358 |
| L | LYS523 |
| site_id | AJ9 |
| Number of Residues | 17 |
| Details | binding site for residue XG4 I 708 |
| Chain | Residue |
| I | ASP330 |
| I | ARG333 |
| I | ARG352 |
| I | LYS354 |
| I | ASN358 |
| I | LYS523 |
| K | VAL117 |
| K | ASN119 |
| K | HIS125 |
| K | MG705 |
| K | CZF707 |
| L | VAL156 |
| L | PHE157 |
| L | GLY324 |
| L | ARG372 |
| L | HIS376 |
| L | LYS377 |
| site_id | AK1 |
| Number of Residues | 14 |
| Details | binding site for residue CZF J 701 |
| Chain | Residue |
| I | LYS116 |
| I | VAL117 |
| I | ILE118 |
| I | ASN137 |
| I | GLN142 |
| I | ARG145 |
| I | PHE165 |
| I | MG704 |
| J | TYR155 |
| J | VAL156 |
| J | VAL378 |
| J | ARG451 |
| K | LYS523 |
| K | XG4701 |
| site_id | AK2 |
| Number of Residues | 7 |
| Details | binding site for residue FE J 702 |
| Chain | Residue |
| J | ARG164 |
| J | HIS167 |
| J | HIS206 |
| J | ASP207 |
| J | ASP311 |
| J | MG703 |
| J | XG4706 |
| site_id | AK3 |
| Number of Residues | 4 |
| Details | binding site for residue MG J 703 |
| Chain | Residue |
| J | ASP207 |
| J | HIS233 |
| J | FE702 |
| J | XG4706 |
| site_id | AK4 |
| Number of Residues | 3 |
| Details | binding site for residue MG J 704 |
| Chain | Residue |
| J | ASP309 |
| J | LYS312 |
| J | XG4706 |
| site_id | AK5 |
| Number of Residues | 2 |
| Details | binding site for residue MG J 705 |
| Chain | Residue |
| I | XG4707 |
| J | CZF707 |
| site_id | AK6 |
| Number of Residues | 18 |
| Details | binding site for residue XG4 J 706 |
| Chain | Residue |
| J | GLN149 |
| J | LEU150 |
| J | ARG164 |
| J | HIS167 |
| J | ASP207 |
| J | HIS215 |
| J | HIS233 |
| J | ASP311 |
| J | LYS312 |
| J | TYR315 |
| J | ASP319 |
| J | ARG366 |
| J | HIS370 |
| J | TYR374 |
| J | GLN375 |
| J | FE702 |
| J | MG703 |
| J | MG704 |
| site_id | AK7 |
| Number of Residues | 14 |
| Details | binding site for residue CZF J 707 |
| Chain | Residue |
| I | TYR155 |
| I | VAL156 |
| I | VAL378 |
| I | ARG451 |
| I | XG4707 |
| J | LYS116 |
| J | VAL117 |
| J | ILE118 |
| J | ASN137 |
| J | GLN142 |
| J | ARG145 |
| J | PHE165 |
| J | MG705 |
| L | LYS523 |
| site_id | AK8 |
| Number of Residues | 4 |
| Details | binding site for residue SO4 J 708 |
| Chain | Residue |
| J | ARG305 |
| J | ARG348 |
| J | HIS517 |
| J | ARG531 |
| site_id | AK9 |
| Number of Residues | 19 |
| Details | binding site for residue XG4 J 709 |
| Chain | Residue |
| J | ASP330 |
| J | ARG333 |
| J | ARG352 |
| J | LYS354 |
| J | ASN358 |
| J | LYS523 |
| K | VAL156 |
| K | PHE157 |
| K | GLY324 |
| K | ILE325 |
| K | ARG372 |
| K | HIS376 |
| K | LYS377 |
| L | VAL117 |
| L | ILE118 |
| L | ASN119 |
| L | HIS125 |
| L | MG704 |
| L | CZF706 |
| site_id | AL1 |
| Number of Residues | 17 |
| Details | binding site for residue XG4 K 701 |
| Chain | Residue |
| I | VAL117 |
| I | ASN119 |
| I | HIS125 |
| I | MG704 |
| J | VAL156 |
| J | PHE157 |
| J | GLY324 |
| J | ARG372 |
| J | HIS376 |
| J | LYS377 |
| J | CZF701 |
| K | ASP330 |
| K | ARG333 |
| K | ARG352 |
| K | LYS354 |
| K | ASN358 |
| K | LYS523 |
| site_id | AL2 |
| Number of Residues | 7 |
| Details | binding site for residue FE K 702 |
| Chain | Residue |
| K | ARG164 |
| K | HIS167 |
| K | HIS206 |
| K | ASP207 |
| K | ASP311 |
| K | MG703 |
| K | XG4706 |
| site_id | AL3 |
| Number of Residues | 5 |
| Details | binding site for residue MG K 703 |
| Chain | Residue |
| K | HIS206 |
| K | ASP207 |
| K | HIS233 |
| K | FE702 |
| K | XG4706 |
| site_id | AL4 |
| Number of Residues | 3 |
| Details | binding site for residue MG K 704 |
| Chain | Residue |
| K | ASP309 |
| K | LYS312 |
| K | XG4706 |
| site_id | AL5 |
| Number of Residues | 2 |
| Details | binding site for residue MG K 705 |
| Chain | Residue |
| I | XG4708 |
| K | CZF707 |
| site_id | AL6 |
| Number of Residues | 19 |
| Details | binding site for residue XG4 K 706 |
| Chain | Residue |
| K | GLN149 |
| K | LEU150 |
| K | ARG164 |
| K | HIS167 |
| K | ASP207 |
| K | HIS210 |
| K | HIS215 |
| K | HIS233 |
| K | ASP311 |
| K | LYS312 |
| K | TYR315 |
| K | ASP319 |
| K | ARG366 |
| K | HIS370 |
| K | TYR374 |
| K | GLN375 |
| K | FE702 |
| K | MG703 |
| K | MG704 |
| site_id | AL7 |
| Number of Residues | 14 |
| Details | binding site for residue CZF K 707 |
| Chain | Residue |
| I | LYS523 |
| I | XG4708 |
| K | LYS116 |
| K | VAL117 |
| K | ILE118 |
| K | ASN137 |
| K | GLN142 |
| K | ARG145 |
| K | PHE165 |
| K | MG705 |
| L | TYR155 |
| L | VAL156 |
| L | VAL378 |
| L | ARG451 |
| site_id | AL8 |
| Number of Residues | 4 |
| Details | binding site for residue SO4 K 708 |
| Chain | Residue |
| K | ARG305 |
| K | ARG348 |
| K | HIS517 |
| K | ARG531 |
| site_id | AL9 |
| Number of Residues | 7 |
| Details | binding site for residue FE L 701 |
| Chain | Residue |
| L | ARG164 |
| L | HIS167 |
| L | HIS206 |
| L | ASP207 |
| L | ASP311 |
| L | MG702 |
| L | XG4705 |
| site_id | AM1 |
| Number of Residues | 6 |
| Details | binding site for residue MG L 702 |
| Chain | Residue |
| L | HIS206 |
| L | ASP207 |
| L | HIS233 |
| L | ASP311 |
| L | FE701 |
| L | XG4705 |
| site_id | AM2 |
| Number of Residues | 3 |
| Details | binding site for residue MG L 703 |
| Chain | Residue |
| L | ASP309 |
| L | LYS312 |
| L | XG4705 |
| site_id | AM3 |
| Number of Residues | 2 |
| Details | binding site for residue MG L 704 |
| Chain | Residue |
| J | XG4709 |
| L | CZF706 |
| site_id | AM4 |
| Number of Residues | 19 |
| Details | binding site for residue XG4 L 705 |
| Chain | Residue |
| L | GLN149 |
| L | LEU150 |
| L | ARG164 |
| L | HIS167 |
| L | ASP207 |
| L | HIS210 |
| L | HIS215 |
| L | HIS233 |
| L | ASP311 |
| L | LYS312 |
| L | TYR315 |
| L | ASP319 |
| L | ARG366 |
| L | HIS370 |
| L | TYR374 |
| L | GLN375 |
| L | FE701 |
| L | MG702 |
| L | MG703 |
| site_id | AM5 |
| Number of Residues | 15 |
| Details | binding site for residue CZF L 706 |
| Chain | Residue |
| J | LYS523 |
| J | XG4709 |
| K | TYR155 |
| K | VAL156 |
| K | VAL378 |
| K | ARG451 |
| K | LYS455 |
| L | LYS116 |
| L | VAL117 |
| L | ILE118 |
| L | ASN137 |
| L | GLN142 |
| L | ARG145 |
| L | PHE165 |
| L | MG704 |
| site_id | AM6 |
| Number of Residues | 4 |
| Details | binding site for residue SO4 L 707 |
| Chain | Residue |
| L | ARG305 |
| L | ARG348 |
| L | HIS517 |
| L | ARG531 |
| site_id | AM7 |
| Number of Residues | 6 |
| Details | binding site for residue FE M 701 |
| Chain | Residue |
| M | ARG164 |
| M | HIS167 |
| M | HIS206 |
| M | ASP207 |
| M | ASP311 |
| M | XG4705 |
| site_id | AM8 |
| Number of Residues | 4 |
| Details | binding site for residue MG M 702 |
| Chain | Residue |
| M | HIS206 |
| M | ASP207 |
| M | HIS233 |
| M | XG4705 |
| site_id | AM9 |
| Number of Residues | 2 |
| Details | binding site for residue MG M 703 |
| Chain | Residue |
| M | ASP309 |
| M | XG4705 |
| site_id | AN1 |
| Number of Residues | 3 |
| Details | binding site for residue MG M 704 |
| Chain | Residue |
| M | LYS116 |
| M | CZF706 |
| O | XG4701 |
| site_id | AN2 |
| Number of Residues | 18 |
| Details | binding site for residue XG4 M 705 |
| Chain | Residue |
| M | GLN149 |
| M | LEU150 |
| M | ARG164 |
| M | HIS167 |
| M | ASP207 |
| M | HIS210 |
| M | HIS215 |
| M | HIS233 |
| M | ASP311 |
| M | LYS312 |
| M | TYR315 |
| M | ASP319 |
| M | ARG366 |
| M | TYR374 |
| M | GLN375 |
| M | FE701 |
| M | MG702 |
| M | MG703 |
| site_id | AN3 |
| Number of Residues | 15 |
| Details | binding site for residue CZF M 706 |
| Chain | Residue |
| M | LYS116 |
| M | VAL117 |
| M | ILE118 |
| M | ASN137 |
| M | GLN142 |
| M | ARG145 |
| M | PHE165 |
| M | MG704 |
| N | TYR155 |
| N | VAL156 |
| N | VAL378 |
| N | ARG451 |
| N | LYS455 |
| O | LYS523 |
| O | XG4701 |
| site_id | AN4 |
| Number of Residues | 4 |
| Details | binding site for residue SO4 M 707 |
| Chain | Residue |
| M | ARG305 |
| M | ARG348 |
| M | HIS517 |
| M | ARG531 |
| site_id | AN5 |
| Number of Residues | 16 |
| Details | binding site for residue XG4 M 708 |
| Chain | Residue |
| M | ARG333 |
| M | ARG352 |
| M | LYS354 |
| M | ASN358 |
| M | LYS523 |
| O | VAL117 |
| O | ASN119 |
| O | HIS125 |
| O | MG705 |
| O | CZF707 |
| P | VAL156 |
| P | PHE157 |
| P | GLY324 |
| P | ARG372 |
| P | HIS376 |
| P | LYS377 |
| site_id | AN6 |
| Number of Residues | 7 |
| Details | binding site for residue FE N 701 |
| Chain | Residue |
| N | ARG164 |
| N | HIS167 |
| N | HIS206 |
| N | ASP207 |
| N | ASP311 |
| N | MG702 |
| N | XG4705 |
| site_id | AN7 |
| Number of Residues | 5 |
| Details | binding site for residue MG N 702 |
| Chain | Residue |
| N | HIS206 |
| N | ASP207 |
| N | HIS233 |
| N | FE701 |
| N | XG4705 |
| site_id | AN8 |
| Number of Residues | 3 |
| Details | binding site for residue MG N 703 |
| Chain | Residue |
| N | ASP309 |
| N | LYS312 |
| N | XG4705 |
| site_id | AN9 |
| Number of Residues | 2 |
| Details | binding site for residue MG N 704 |
| Chain | Residue |
| N | CZF706 |
| P | XG4701 |
| site_id | AO1 |
| Number of Residues | 19 |
| Details | binding site for residue XG4 N 705 |
| Chain | Residue |
| N | GLN149 |
| N | LEU150 |
| N | ARG164 |
| N | HIS167 |
| N | ASP207 |
| N | HIS210 |
| N | HIS215 |
| N | HIS233 |
| N | ASP311 |
| N | LYS312 |
| N | TYR315 |
| N | ASP319 |
| N | ARG366 |
| N | HIS370 |
| N | TYR374 |
| N | GLN375 |
| N | FE701 |
| N | MG702 |
| N | MG703 |
| site_id | AO2 |
| Number of Residues | 14 |
| Details | binding site for residue CZF N 706 |
| Chain | Residue |
| M | TYR155 |
| M | VAL156 |
| M | VAL378 |
| M | ARG451 |
| N | LYS116 |
| N | VAL117 |
| N | ILE118 |
| N | ASN137 |
| N | GLN142 |
| N | ARG145 |
| N | PHE165 |
| N | MG704 |
| P | LYS523 |
| P | XG4701 |
| site_id | AO3 |
| Number of Residues | 3 |
| Details | binding site for residue SO4 N 707 |
| Chain | Residue |
| N | ARG305 |
| N | ARG348 |
| N | HIS517 |
| site_id | AO4 |
| Number of Residues | 17 |
| Details | binding site for residue XG4 N 708 |
| Chain | Residue |
| N | ASP330 |
| N | ARG333 |
| N | ARG352 |
| N | LYS354 |
| N | ASN358 |
| N | LYS523 |
| O | VAL156 |
| O | PHE157 |
| O | GLY324 |
| O | ARG372 |
| O | HIS376 |
| O | LYS377 |
| P | ILE118 |
| P | ASN119 |
| P | HIS125 |
| P | MG705 |
| P | CZF707 |
| site_id | AO5 |
| Number of Residues | 18 |
| Details | binding site for residue XG4 O 701 |
| Chain | Residue |
| M | VAL117 |
| M | ASN119 |
| M | HIS125 |
| M | MG704 |
| M | CZF706 |
| N | VAL156 |
| N | PHE157 |
| N | GLY324 |
| N | ARG372 |
| N | HIS376 |
| N | LYS377 |
| N | VAL378 |
| O | ASP330 |
| O | ARG333 |
| O | ARG352 |
| O | LYS354 |
| O | ASN358 |
| O | LYS523 |
| site_id | AO6 |
| Number of Residues | 7 |
| Details | binding site for residue FE O 702 |
| Chain | Residue |
| O | ARG164 |
| O | HIS167 |
| O | HIS206 |
| O | ASP207 |
| O | ASP311 |
| O | MG703 |
| O | XG4706 |
| site_id | AO7 |
| Number of Residues | 5 |
| Details | binding site for residue MG O 703 |
| Chain | Residue |
| O | HIS206 |
| O | ASP207 |
| O | HIS233 |
| O | FE702 |
| O | XG4706 |
| site_id | AO8 |
| Number of Residues | 2 |
| Details | binding site for residue MG O 704 |
| Chain | Residue |
| O | ASP309 |
| O | XG4706 |
| site_id | AO9 |
| Number of Residues | 2 |
| Details | binding site for residue MG O 705 |
| Chain | Residue |
| M | XG4708 |
| O | CZF707 |
| site_id | AP1 |
| Number of Residues | 19 |
| Details | binding site for residue XG4 O 706 |
| Chain | Residue |
| O | GLN149 |
| O | LEU150 |
| O | ARG164 |
| O | HIS167 |
| O | ASP207 |
| O | HIS210 |
| O | HIS215 |
| O | HIS233 |
| O | ASP311 |
| O | LYS312 |
| O | TYR315 |
| O | ASP319 |
| O | ARG366 |
| O | HIS370 |
| O | TYR374 |
| O | GLN375 |
| O | FE702 |
| O | MG703 |
| O | MG704 |
| site_id | AP2 |
| Number of Residues | 14 |
| Details | binding site for residue CZF O 707 |
| Chain | Residue |
| M | LYS523 |
| M | XG4708 |
| O | LYS116 |
| O | VAL117 |
| O | ILE118 |
| O | ASN137 |
| O | GLN142 |
| O | ARG145 |
| O | PHE165 |
| O | MG705 |
| P | TYR155 |
| P | VAL156 |
| P | VAL378 |
| P | ARG451 |
| site_id | AP3 |
| Number of Residues | 4 |
| Details | binding site for residue SO4 O 708 |
| Chain | Residue |
| O | ARG305 |
| O | ARG348 |
| O | HIS517 |
| O | ARG531 |
| site_id | AP4 |
| Number of Residues | 16 |
| Details | binding site for residue XG4 P 701 |
| Chain | Residue |
| M | VAL156 |
| M | PHE157 |
| M | ARG372 |
| M | HIS376 |
| M | LYS377 |
| N | VAL117 |
| N | ASN119 |
| N | HIS125 |
| N | MG704 |
| N | CZF706 |
| P | ASP330 |
| P | ARG333 |
| P | ARG352 |
| P | LYS354 |
| P | ASN358 |
| P | LYS523 |
| site_id | AP5 |
| Number of Residues | 7 |
| Details | binding site for residue FE P 702 |
| Chain | Residue |
| P | ARG164 |
| P | HIS167 |
| P | HIS206 |
| P | ASP207 |
| P | ASP311 |
| P | MG703 |
| P | XG4706 |
| site_id | AP6 |
| Number of Residues | 6 |
| Details | binding site for residue MG P 703 |
| Chain | Residue |
| P | HIS206 |
| P | ASP207 |
| P | HIS233 |
| P | ASP311 |
| P | FE702 |
| P | XG4706 |
| site_id | AP7 |
| Number of Residues | 2 |
| Details | binding site for residue MG P 704 |
| Chain | Residue |
| P | ASP309 |
| P | XG4706 |
| site_id | AP8 |
| Number of Residues | 2 |
| Details | binding site for residue MG P 705 |
| Chain | Residue |
| N | XG4708 |
| P | CZF707 |
| site_id | AP9 |
| Number of Residues | 19 |
| Details | binding site for residue XG4 P 706 |
| Chain | Residue |
| P | GLN149 |
| P | LEU150 |
| P | ARG164 |
| P | HIS167 |
| P | ASP207 |
| P | HIS210 |
| P | HIS215 |
| P | HIS233 |
| P | ASP311 |
| P | LYS312 |
| P | TYR315 |
| P | ASP319 |
| P | ARG366 |
| P | HIS370 |
| P | TYR374 |
| P | GLN375 |
| P | FE702 |
| P | MG703 |
| P | MG704 |
| site_id | AQ1 |
| Number of Residues | 15 |
| Details | binding site for residue CZF P 707 |
| Chain | Residue |
| N | LYS523 |
| N | XG4708 |
| O | TYR155 |
| O | VAL156 |
| O | VAL378 |
| O | ARG451 |
| O | LYS455 |
| P | LYS116 |
| P | VAL117 |
| P | ILE118 |
| P | ASN137 |
| P | GLN142 |
| P | ARG145 |
| P | PHE165 |
| P | MG705 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 16 |
| Details | Active site: {"evidences":[{"source":"PubMed","id":"22056990","evidenceCode":"ECO:0000305"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 80 |
| Details | Binding site: {"description":"in chain B","evidences":[{"source":"PubMed","id":"25267621","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"4TNP","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4TNQ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4TNR","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4TNX","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 16 |
| Details | Binding site: {"description":"in chain B","evidences":[{"source":"PubMed","id":"25267621","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"4TNQ","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 128 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"25267621","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"4TNQ","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI5 |
| Number of Residues | 112 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"24141705","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"4BZB","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI6 |
| Number of Residues | 64 |
| Details | Binding site: {"description":"in chain C","evidences":[{"source":"PubMed","id":"25267621","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"4TNQ","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI7 |
| Number of Residues | 48 |
| Details | Binding site: {"description":"in chain A","evidences":[{"source":"PubMed","id":"25267621","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"4TNQ","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI8 |
| Number of Residues | 16 |
| Details | Binding site: {"description":"in chain A","evidences":[{"source":"PubMed","id":"24141705","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"25267621","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"4BZB","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4TNX","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI9 |
| Number of Residues | 32 |
| Details | Binding site: {"description":"in chain C","evidences":[{"source":"PubMed","id":"25267621","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"4TNP","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4TNQ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4TNR","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4TNX","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI10 |
| Number of Residues | 16 |
| Details | Binding site: {"description":"in chain A","evidences":[{"source":"PubMed","id":"25267621","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"4TNP","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4TNQ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4TNR","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4TNX","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI11 |
| Number of Residues | 16 |
| Details | Modified residue: {"description":"Phosphothreonine; by CDK1","evidences":[{"source":"PubMed","id":"23601106","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"23602554","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"26294762","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"26431200","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"29610582","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"29670289","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"17081983","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"18669648","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"18691976","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"19369195","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"20068231","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"23186163","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"24275569","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI12 |
| Number of Residues | 64 |
| Details | Cross-link: {"description":"Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in SUMO2)","evidences":[{"source":"PubMed","id":"28112733","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI13 |
| Number of Residues | 152 |
| Details | Domain: {"description":"HD","evidences":[{"source":"PROSITE-ProRule","id":"PRU01175","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
