4WWL
E. coli 5'-nucleotidase mutant I521C labeled with MTSL (intermediate form)
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000166 | molecular_function | nucleotide binding |
| A | 0008253 | molecular_function | 5'-nucleotidase activity |
| A | 0008768 | molecular_function | UDP-sugar diphosphatase activity |
| A | 0009166 | biological_process | nucleotide catabolic process |
| A | 0016787 | molecular_function | hydrolase activity |
| A | 0016788 | molecular_function | hydrolase activity, acting on ester bonds |
| A | 0030288 | cellular_component | outer membrane-bounded periplasmic space |
| A | 0042597 | cellular_component | periplasmic space |
| A | 0046872 | molecular_function | metal ion binding |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 8 |
| Details | binding site for residue MTN A 601 |
| Chain | Residue |
| A | ASP93 |
| A | ASP120 |
| A | ASN121 |
| A | TYR420 |
| A | CYS521 |
| A | GLU524 |
| A | HOH779 |
| A | HOH723 |
| site_id | AC2 |
| Number of Residues | 6 |
| Details | binding site for residue ZN A 602 |
| Chain | Residue |
| A | ASN116 |
| A | HIS217 |
| A | HIS252 |
| A | ZN603 |
| A | CO3613 |
| A | ASP84 |
| site_id | AC3 |
| Number of Residues | 7 |
| Details | binding site for residue ZN A 603 |
| Chain | Residue |
| A | ASP41 |
| A | HIS43 |
| A | ASP84 |
| A | HIS252 |
| A | GLN254 |
| A | ZN602 |
| A | CO3613 |
| site_id | AC4 |
| Number of Residues | 4 |
| Details | binding site for residue SO4 A 604 |
| Chain | Residue |
| A | SER76 |
| A | ARG160 |
| A | GLN161 |
| A | HOH1007 |
| site_id | AC5 |
| Number of Residues | 7 |
| Details | binding site for residue SO4 A 605 |
| Chain | Residue |
| A | ASP110 |
| A | LEU157 |
| A | PHE158 |
| A | LYS159 |
| A | ARG160 |
| A | HOH735 |
| A | HOH832 |
| site_id | AC6 |
| Number of Residues | 5 |
| Details | binding site for residue SO4 A 606 |
| Chain | Residue |
| A | ARG102 |
| A | ASN105 |
| A | LYS134 |
| A | HOH985 |
| A | HOH864 |
| site_id | AC7 |
| Number of Residues | 3 |
| Details | binding site for residue SO4 A 607 |
| Chain | Residue |
| A | ARG102 |
| A | LYS131 |
| A | HOH918 |
| site_id | AC8 |
| Number of Residues | 3 |
| Details | binding site for residue SO4 A 608 |
| Chain | Residue |
| A | TRP47 |
| A | ARG48 |
| A | HOH820 |
| site_id | AC9 |
| Number of Residues | 4 |
| Details | binding site for residue SO4 A 609 |
| Chain | Residue |
| A | LYS421 |
| A | ASN422 |
| A | HOH1016 |
| A | HOH776 |
| site_id | AD1 |
| Number of Residues | 4 |
| Details | binding site for residue SO4 A 610 |
| Chain | Residue |
| A | LEU475 |
| A | ASN476 |
| A | ASP477 |
| A | HOH885 |
| site_id | AD2 |
| Number of Residues | 8 |
| Details | binding site for residue SO4 A 611 |
| Chain | Residue |
| A | LYS33 |
| A | GLU69 |
| A | GLU73 |
| A | ARG297 |
| A | LEU334 |
| A | TYR335 |
| A | THR336 |
| A | HOH796 |
| site_id | AD3 |
| Number of Residues | 3 |
| Details | binding site for residue SO4 A 612 |
| Chain | Residue |
| A | ARG375 |
| A | ARG379 |
| A | ARG410 |
| site_id | AD4 |
| Number of Residues | 6 |
| Details | binding site for residue CO3 A 613 |
| Chain | Residue |
| A | ASP84 |
| A | ASN116 |
| A | HIS117 |
| A | HIS252 |
| A | ZN602 |
| A | ZN603 |
| site_id | AD5 |
| Number of Residues | 3 |
| Details | binding site for residue CO3 A 614 |
| Chain | Residue |
| A | SER457 |
| A | GLY458 |
| A | HOH775 |
| site_id | AD6 |
| Number of Residues | 6 |
| Details | binding site for residue GOL A 615 |
| Chain | Residue |
| A | ASN105 |
| A | GLY108 |
| A | TYR109 |
| A | LYS134 |
| A | PHE135 |
| A | HOH735 |
Functional Information from PROSITE/UniProt
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 17 |
| Details | Binding site: {} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 2 |
| Details | Site: {"description":"Transition state stabilizer"} |
| Chain | Residue | Details |
Catalytic Information from CSA
| site_id | MCSA1 |
| Number of Residues | 12 |
| Details | M-CSA 611 |
| Chain | Residue | Details |
| A | ASP41 | metal ligand |
| A | ARG375 | electrostatic stabiliser, increase acidity, increase electrophilicity |
| A | ARG379 | electrostatic stabiliser, increase acidity, increase electrophilicity |
| A | ARG410 | electrostatic stabiliser, increase acidity, increase electrophilicity |
| A | HIS43 | metal ligand |
| A | ASP84 | metal ligand |
| A | ASN116 | electrostatic stabiliser, metal ligand |
| A | HIS117 | electrostatic stabiliser, increase nucleophilicity, metal ligand, proton acceptor |
| A | ASP120 | electrostatic stabiliser, increase basicity |
| A | HIS217 | metal ligand |
| A | HIS252 | metal ligand |
| A | GLN254 | metal ligand |
