4CXU
G4 mutant of PAS, arylsulfatase from Pseudomonas Aeruginosa, in complex with 3-Br-Phenolphenylphosphonate
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004065 | molecular_function | arylsulfatase activity |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0008081 | molecular_function | phosphoric diester hydrolase activity |
| A | 0016787 | molecular_function | hydrolase activity |
| A | 0046872 | molecular_function | metal ion binding |
| B | 0004065 | molecular_function | arylsulfatase activity |
| B | 0005737 | cellular_component | cytoplasm |
| B | 0008081 | molecular_function | phosphoric diester hydrolase activity |
| B | 0016787 | molecular_function | hydrolase activity |
| B | 0046872 | molecular_function | metal ion binding |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE CA A 1528 |
| Chain | Residue |
| A | ASP13 |
| A | ASP14 |
| A | DDZ51 |
| A | ASP317 |
| A | ASN318 |
| site_id | AC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE CA B 1528 |
| Chain | Residue |
| B | ASN318 |
| B | ASP13 |
| B | ASP14 |
| B | DDZ51 |
| B | ASP317 |
| site_id | AC3 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE 62Y A 1529 |
| Chain | Residue |
| A | DDZ51 |
| A | MET72 |
| A | HIS115 |
| A | THR160 |
| A | HIS211 |
| A | GLU321 |
| A | LEU325 |
| A | PHE331 |
| A | LYS375 |
| A | PHE463 |
| site_id | AC4 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE 62Y B 1529 |
| Chain | Residue |
| B | DDZ51 |
| B | MET72 |
| B | GLU74 |
| B | HIS211 |
| B | ALA323 |
| B | LYS375 |
| B | PHE463 |
Functional Information from PROSITE/UniProt
| site_id | PS00149 |
| Number of Residues | 11 |
| Details | SULFATASE_2 Sulfatases signature 2. GYqTlmAGK.WH |
| Chain | Residue | Details |
| A | GLY105-HIS115 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 2 |
| Details | ACT_SITE: Nucleophile => ECO:0000269|PubMed:11435113, ECO:0000269|PubMed:9748219 |
| Chain | Residue | Details |
| A | DDZ51 | |
| B | DDZ51 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 2 |
| Details | ACT_SITE: ACT_SITE => ECO:0000250|UniProtKB:P15289 |
| Chain | Residue | Details |
| A | HIS115 | |
| B | HIS115 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 8 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:11435113 |
| Chain | Residue | Details |
| A | ASP13 | |
| A | ASP14 | |
| A | ASP317 | |
| A | ASN318 | |
| B | ASP13 | |
| B | ASP14 | |
| B | ASP317 | |
| B | ASN318 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 2 |
| Details | BINDING: via 3-oxoalanine => ECO:0000269|PubMed:11435113 |
| Chain | Residue | Details |
| A | DDZ51 | |
| B | DDZ51 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 2 |
| Details | MOD_RES: 3-oxoalanine (Cys) => ECO:0000269|PubMed:11435113, ECO:0000269|PubMed:9748219 |
| Chain | Residue | Details |
| A | DDZ51 | |
| B | DDZ51 |
Catalytic Information from CSA
| site_id | MCSA1 |
| Number of Residues | 10 |
| Details | M-CSA 661 |
| Chain | Residue | Details |
| A | ASP13 | metal ligand |
| A | THR379 | electrostatic stabiliser |
| A | ASP14 | metal ligand |
| A | DDZ51 | covalently attached, increase electrophilicity, metal ligand, nucleophile, proton donor |
| A | LEU59 | electrostatic stabiliser |
| A | GLY117 | electrostatic stabiliser, increase electrophilicity |
| A | LYS119 | electrostatic stabiliser, proton acceptor |
| A | GLN215 | electrostatic stabiliser, proton donor |
| A | GLU321 | activator, increase nucleophilicity, metal ligand, proton acceptor |
| A | GLY322 | metal ligand |
| site_id | MCSA2 |
| Number of Residues | 10 |
| Details | M-CSA 661 |
| Chain | Residue | Details |
| B | ASP13 | metal ligand |
| B | THR379 | electrostatic stabiliser |
| B | ASP14 | metal ligand |
| B | DDZ51 | covalently attached, increase electrophilicity, metal ligand, nucleophile, proton donor |
| B | LEU59 | electrostatic stabiliser |
| B | GLY117 | electrostatic stabiliser, increase electrophilicity |
| B | LYS119 | electrostatic stabiliser, proton acceptor |
| B | GLN215 | electrostatic stabiliser, proton donor |
| B | GLU321 | activator, increase nucleophilicity, metal ligand, proton acceptor |
| B | GLY322 | metal ligand |
