6TU6
Kemp Eliminase HG3.17 mutant Q50M, E47N, N300D Complexed with Transition State Analog 6-Nitrobenzotriazole
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004553 | molecular_function | hydrolase activity, hydrolyzing O-glycosyl compounds |
| A | 0005975 | biological_process | carbohydrate metabolic process |
| B | 0004553 | molecular_function | hydrolase activity, hydrolyzing O-glycosyl compounds |
| B | 0005975 | biological_process | carbohydrate metabolic process |
| C | 0004553 | molecular_function | hydrolase activity, hydrolyzing O-glycosyl compounds |
| C | 0005975 | biological_process | carbohydrate metabolic process |
| D | 0004553 | molecular_function | hydrolase activity, hydrolyzing O-glycosyl compounds |
| D | 0005975 | biological_process | carbohydrate metabolic process |
| E | 0004553 | molecular_function | hydrolase activity, hydrolyzing O-glycosyl compounds |
| E | 0005975 | biological_process | carbohydrate metabolic process |
| F | 0004553 | molecular_function | hydrolase activity, hydrolyzing O-glycosyl compounds |
| F | 0005975 | biological_process | carbohydrate metabolic process |
| G | 0004553 | molecular_function | hydrolase activity, hydrolyzing O-glycosyl compounds |
| G | 0005975 | biological_process | carbohydrate metabolic process |
| H | 0004553 | molecular_function | hydrolase activity, hydrolyzing O-glycosyl compounds |
| H | 0005975 | biological_process | carbohydrate metabolic process |
| I | 0004553 | molecular_function | hydrolase activity, hydrolyzing O-glycosyl compounds |
| I | 0005975 | biological_process | carbohydrate metabolic process |
| J | 0004553 | molecular_function | hydrolase activity, hydrolyzing O-glycosyl compounds |
| J | 0005975 | biological_process | carbohydrate metabolic process |
| K | 0004553 | molecular_function | hydrolase activity, hydrolyzing O-glycosyl compounds |
| K | 0005975 | biological_process | carbohydrate metabolic process |
| L | 0004553 | molecular_function | hydrolase activity, hydrolyzing O-glycosyl compounds |
| L | 0005975 | biological_process | carbohydrate metabolic process |
| M | 0004553 | molecular_function | hydrolase activity, hydrolyzing O-glycosyl compounds |
| M | 0005975 | biological_process | carbohydrate metabolic process |
| N | 0004553 | molecular_function | hydrolase activity, hydrolyzing O-glycosyl compounds |
| N | 0005975 | biological_process | carbohydrate metabolic process |
| O | 0004553 | molecular_function | hydrolase activity, hydrolyzing O-glycosyl compounds |
| O | 0005975 | biological_process | carbohydrate metabolic process |
| P | 0004553 | molecular_function | hydrolase activity, hydrolyzing O-glycosyl compounds |
| P | 0005975 | biological_process | carbohydrate metabolic process |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 11 |
| Details | binding site for residue 6NT A 401 |
| Chain | Residue |
| A | ALA21 |
| A | THR265 |
| A | MET267 |
| A | TRP44 |
| A | MET50 |
| A | GLY83 |
| A | CYS84 |
| A | ASP127 |
| A | MET172 |
| A | LEU236 |
| A | MET237 |
| site_id | AC2 |
| Number of Residues | 7 |
| Details | binding site for residue SO4 A 402 |
| Chain | Residue |
| A | ARG118 |
| A | HOH502 |
| A | HOH520 |
| A | HOH583 |
| A | HOH756 |
| G | SER57 |
| G | ASN60 |
| site_id | AC3 |
| Number of Residues | 11 |
| Details | binding site for residue 6NT B 401 |
| Chain | Residue |
| B | ALA21 |
| B | TRP44 |
| B | MET50 |
| B | GLY83 |
| B | CYS84 |
| B | ASP127 |
| B | MET172 |
| B | LEU236 |
| B | MET237 |
| B | THR265 |
| B | MET267 |
| site_id | AC4 |
| Number of Residues | 4 |
| Details | binding site for residue SO4 B 402 |
| Chain | Residue |
| B | HIS88 |
| B | ARG140 |
| B | ASN142 |
| B | HOH669 |
| site_id | AC5 |
| Number of Residues | 10 |
| Details | binding site for residue 6NT C 401 |
| Chain | Residue |
| C | ALA21 |
| C | TRP44 |
| C | MET50 |
| C | GLY83 |
| C | CYS84 |
| C | ASP127 |
| C | MET172 |
| C | LEU236 |
| C | MET237 |
| C | THR265 |
| site_id | AC6 |
| Number of Residues | 6 |
| Details | binding site for residue SO4 C 402 |
| Chain | Residue |
| C | ARG118 |
| C | HOH503 |
| C | HOH692 |
| C | HOH756 |
| K | SER57 |
| K | ASN60 |
| site_id | AC7 |
| Number of Residues | 6 |
| Details | binding site for residue SO4 C 403 |
| Chain | Residue |
| C | HIS88 |
| C | ARG140 |
| C | ASN142 |
| C | HOH591 |
| C | HOH651 |
| C | HOH699 |
| site_id | AC8 |
| Number of Residues | 2 |
| Details | binding site for residue SO4 C 404 |
| Chain | Residue |
| C | ARG161 |
| C | HOH511 |
| site_id | AC9 |
| Number of Residues | 11 |
| Details | binding site for residue 6NT D 401 |
| Chain | Residue |
| D | ALA21 |
| D | TRP44 |
| D | MET50 |
| D | GLY83 |
| D | CYS84 |
| D | ASP127 |
| D | MET172 |
| D | LEU236 |
| D | MET237 |
| D | THR265 |
| D | MET267 |
| site_id | AD1 |
| Number of Residues | 7 |
| Details | binding site for residue SO4 D 402 |
| Chain | Residue |
| D | ARG118 |
| D | HOH505 |
| D | HOH527 |
| D | HOH537 |
| D | HOH562 |
| J | SER57 |
| J | ASN60 |
| site_id | AD2 |
| Number of Residues | 3 |
| Details | binding site for residue SO4 D 403 |
| Chain | Residue |
| D | HIS88 |
| D | ARG140 |
| D | ASN142 |
| site_id | AD3 |
| Number of Residues | 3 |
| Details | binding site for residue SO4 D 404 |
| Chain | Residue |
| D | PRO292 |
| D | ASN295 |
| D | HOH522 |
| site_id | AD4 |
| Number of Residues | 11 |
| Details | binding site for residue 6NT E 401 |
| Chain | Residue |
| E | ALA21 |
| E | TRP44 |
| E | MET50 |
| E | GLY83 |
| E | CYS84 |
| E | ASP127 |
| E | MET172 |
| E | LEU236 |
| E | MET237 |
| E | THR265 |
| E | MET267 |
| site_id | AD5 |
| Number of Residues | 5 |
| Details | binding site for residue SO4 E 402 |
| Chain | Residue |
| E | HIS88 |
| E | ARG140 |
| E | ASN142 |
| E | HOH628 |
| E | HOH759 |
| site_id | AD6 |
| Number of Residues | 2 |
| Details | binding site for residue SO4 E 403 |
| Chain | Residue |
| E | ARG161 |
| E | HOH507 |
| site_id | AD7 |
| Number of Residues | 11 |
| Details | binding site for residue 6NT F 401 |
| Chain | Residue |
| F | ALA21 |
| F | TRP44 |
| F | MET50 |
| F | GLY83 |
| F | CYS84 |
| F | ASP127 |
| F | MET172 |
| F | LEU236 |
| F | MET237 |
| F | THR265 |
| F | MET267 |
| site_id | AD8 |
| Number of Residues | 6 |
| Details | binding site for residue SO4 F 402 |
| Chain | Residue |
| F | SER57 |
| F | ASN60 |
| F | HOH528 |
| F | HOH568 |
| F | HOH658 |
| L | ARG118 |
| site_id | AD9 |
| Number of Residues | 12 |
| Details | binding site for residue 6NT G 401 |
| Chain | Residue |
| G | ALA21 |
| G | TRP44 |
| G | MET50 |
| G | GLY83 |
| G | CYS84 |
| G | ASP127 |
| G | MET172 |
| G | LEU236 |
| G | MET237 |
| G | THR265 |
| G | MET267 |
| G | HOH658 |
| site_id | AE1 |
| Number of Residues | 11 |
| Details | binding site for residue 6NT H 401 |
| Chain | Residue |
| H | ALA21 |
| H | TRP44 |
| H | MET50 |
| H | GLY83 |
| H | CYS84 |
| H | ASP127 |
| H | MET172 |
| H | LEU236 |
| H | MET237 |
| H | THR265 |
| H | MET267 |
| site_id | AE2 |
| Number of Residues | 6 |
| Details | binding site for residue SO4 H 402 |
| Chain | Residue |
| B | ARG118 |
| H | SER57 |
| H | ASN60 |
| H | HOH517 |
| H | HOH528 |
| H | HOH609 |
| site_id | AE3 |
| Number of Residues | 2 |
| Details | binding site for residue SO4 H 403 |
| Chain | Residue |
| H | ARG118 |
| H | HOH718 |
| site_id | AE4 |
| Number of Residues | 10 |
| Details | binding site for residue 6NT I 401 |
| Chain | Residue |
| I | ALA21 |
| I | TRP44 |
| I | MET50 |
| I | GLY83 |
| I | CYS84 |
| I | ASP127 |
| I | MET172 |
| I | LEU236 |
| I | MET237 |
| I | THR265 |
| site_id | AE5 |
| Number of Residues | 7 |
| Details | binding site for residue SO4 I 402 |
| Chain | Residue |
| E | ARG118 |
| I | SER57 |
| I | ASN60 |
| I | HOH504 |
| I | HOH514 |
| I | HOH580 |
| I | HOH711 |
| site_id | AE6 |
| Number of Residues | 4 |
| Details | binding site for residue SO4 I 403 |
| Chain | Residue |
| I | HIS88 |
| I | ARG140 |
| I | ASN142 |
| I | HOH619 |
| site_id | AE7 |
| Number of Residues | 11 |
| Details | binding site for residue 6NT J 401 |
| Chain | Residue |
| J | ALA21 |
| J | TRP44 |
| J | MET50 |
| J | GLY83 |
| J | CYS84 |
| J | ASP127 |
| J | MET172 |
| J | LEU236 |
| J | MET237 |
| J | THR265 |
| J | MET267 |
| site_id | AE8 |
| Number of Residues | 4 |
| Details | binding site for residue SO4 J 402 |
| Chain | Residue |
| J | HIS88 |
| J | ARG140 |
| J | ASN142 |
| J | HOH510 |
| site_id | AE9 |
| Number of Residues | 11 |
| Details | binding site for residue 6NT K 401 |
| Chain | Residue |
| K | ALA21 |
| K | TRP44 |
| K | MET50 |
| K | GLY83 |
| K | CYS84 |
| K | ASP127 |
| K | MET172 |
| K | LEU236 |
| K | MET237 |
| K | THR265 |
| K | MET267 |
| site_id | AF1 |
| Number of Residues | 10 |
| Details | binding site for residue 6NT L 401 |
| Chain | Residue |
| L | ALA21 |
| L | TRP44 |
| L | MET50 |
| L | GLY83 |
| L | CYS84 |
| L | ASP127 |
| L | LEU236 |
| L | MET237 |
| L | THR265 |
| L | HOH601 |
| site_id | AF2 |
| Number of Residues | 2 |
| Details | binding site for residue SO4 L 402 |
| Chain | Residue |
| L | ARG161 |
| L | HOH544 |
| site_id | AF3 |
| Number of Residues | 10 |
| Details | binding site for residue 6NT M 401 |
| Chain | Residue |
| M | ALA21 |
| M | TRP44 |
| M | MET50 |
| M | GLY83 |
| M | CYS84 |
| M | ASP127 |
| M | LEU236 |
| M | MET237 |
| M | THR265 |
| M | MET267 |
| site_id | AF4 |
| Number of Residues | 5 |
| Details | binding site for residue SO4 M 402 |
| Chain | Residue |
| M | ARG118 |
| M | HOH534 |
| O | SER57 |
| O | ASN60 |
| O | HOH785 |
| site_id | AF5 |
| Number of Residues | 3 |
| Details | binding site for residue SO4 M 403 |
| Chain | Residue |
| M | ARG161 |
| M | PRO200 |
| M | HOH504 |
| site_id | AF6 |
| Number of Residues | 11 |
| Details | binding site for residue 6NT N 401 |
| Chain | Residue |
| N | ALA21 |
| N | TRP44 |
| N | MET50 |
| N | GLY83 |
| N | CYS84 |
| N | ASP127 |
| N | MET172 |
| N | LEU236 |
| N | MET237 |
| N | THR265 |
| N | MET267 |
| site_id | AF7 |
| Number of Residues | 6 |
| Details | binding site for residue SO4 N 402 |
| Chain | Residue |
| N | SER57 |
| N | ASN60 |
| N | HOH504 |
| N | HOH516 |
| N | HOH673 |
| P | ARG118 |
| site_id | AF8 |
| Number of Residues | 7 |
| Details | binding site for residue SO4 N 403 |
| Chain | Residue |
| N | ARG118 |
| N | HOH518 |
| N | HOH628 |
| N | HOH686 |
| P | SER57 |
| P | ASN60 |
| P | HOH506 |
| site_id | AF9 |
| Number of Residues | 11 |
| Details | binding site for residue 6NT O 401 |
| Chain | Residue |
| O | ALA21 |
| O | TRP44 |
| O | MET50 |
| O | GLY83 |
| O | CYS84 |
| O | ASP127 |
| O | MET172 |
| O | LEU236 |
| O | MET237 |
| O | THR265 |
| O | MET267 |
| site_id | AG1 |
| Number of Residues | 3 |
| Details | binding site for residue SO4 O 402 |
| Chain | Residue |
| O | LYS168 |
| O | HOH517 |
| O | HOH628 |
| site_id | AG2 |
| Number of Residues | 11 |
| Details | binding site for residue 6NT P 401 |
| Chain | Residue |
| P | ALA21 |
| P | TRP44 |
| P | MET50 |
| P | GLY83 |
| P | CYS84 |
| P | ASP127 |
| P | MET172 |
| P | LEU236 |
| P | MET237 |
| P | THR265 |
| P | MET267 |
| site_id | AG3 |
| Number of Residues | 5 |
| Details | binding site for residue SO4 P 402 |
| Chain | Residue |
| P | HIS88 |
| P | ARG140 |
| P | ASN142 |
| P | HOH535 |
| P | HOH674 |
| site_id | AG4 |
| Number of Residues | 3 |
| Details | binding site for residue SO4 P 403 |
| Chain | Residue |
| P | ARG161 |
| P | HOH503 |
| P | HOH528 |
