2MAS
PURINE NUCLEOSIDE HYDROLASE WITH A TRANSITION STATE INHIBITOR
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0005829 | cellular_component | cytosol |
| A | 0006139 | biological_process | nucleobase-containing compound metabolic process |
| A | 0006152 | biological_process | purine nucleoside catabolic process |
| A | 0008477 | molecular_function | purine nucleosidase activity |
| A | 0009117 | biological_process | nucleotide metabolic process |
| A | 0016798 | molecular_function | hydrolase activity, acting on glycosyl bonds |
| A | 0016799 | molecular_function | hydrolase activity, hydrolyzing N-glycosyl compounds |
| A | 0045437 | molecular_function | uridine nucleosidase activity |
| A | 0046872 | molecular_function | metal ion binding |
| A | 0047724 | molecular_function | inosine nucleosidase activity |
| B | 0005829 | cellular_component | cytosol |
| B | 0006139 | biological_process | nucleobase-containing compound metabolic process |
| B | 0006152 | biological_process | purine nucleoside catabolic process |
| B | 0008477 | molecular_function | purine nucleosidase activity |
| B | 0009117 | biological_process | nucleotide metabolic process |
| B | 0016798 | molecular_function | hydrolase activity, acting on glycosyl bonds |
| B | 0016799 | molecular_function | hydrolase activity, hydrolyzing N-glycosyl compounds |
| B | 0045437 | molecular_function | uridine nucleosidase activity |
| B | 0046872 | molecular_function | metal ion binding |
| B | 0047724 | molecular_function | inosine nucleosidase activity |
| C | 0005829 | cellular_component | cytosol |
| C | 0006139 | biological_process | nucleobase-containing compound metabolic process |
| C | 0006152 | biological_process | purine nucleoside catabolic process |
| C | 0008477 | molecular_function | purine nucleosidase activity |
| C | 0009117 | biological_process | nucleotide metabolic process |
| C | 0016798 | molecular_function | hydrolase activity, acting on glycosyl bonds |
| C | 0016799 | molecular_function | hydrolase activity, hydrolyzing N-glycosyl compounds |
| C | 0045437 | molecular_function | uridine nucleosidase activity |
| C | 0046872 | molecular_function | metal ion binding |
| C | 0047724 | molecular_function | inosine nucleosidase activity |
| D | 0005829 | cellular_component | cytosol |
| D | 0006139 | biological_process | nucleobase-containing compound metabolic process |
| D | 0006152 | biological_process | purine nucleoside catabolic process |
| D | 0008477 | molecular_function | purine nucleosidase activity |
| D | 0009117 | biological_process | nucleotide metabolic process |
| D | 0016798 | molecular_function | hydrolase activity, acting on glycosyl bonds |
| D | 0016799 | molecular_function | hydrolase activity, hydrolyzing N-glycosyl compounds |
| D | 0045437 | molecular_function | uridine nucleosidase activity |
| D | 0046872 | molecular_function | metal ion binding |
| D | 0047724 | molecular_function | inosine nucleosidase activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE CA A 316 |
| Chain | Residue |
| A | ASP10 |
| A | ASP15 |
| A | ASN39 |
| A | THR126 |
| A | ASP242 |
| A | PIR400 |
| A | HOH436 |
| site_id | AC2 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE CA B 316 |
| Chain | Residue |
| B | ASP10 |
| B | ASP15 |
| B | ASN39 |
| B | THR126 |
| B | ASP242 |
| B | PIR400 |
| B | HOH428 |
| site_id | AC3 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE CA C 316 |
| Chain | Residue |
| C | ASP10 |
| C | ASP15 |
| C | ASN39 |
| C | THR126 |
| C | ASP242 |
| C | PIR400 |
| C | HOH451 |
| site_id | AC4 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE CA D 316 |
| Chain | Residue |
| D | ASP10 |
| D | ASP15 |
| D | ASN39 |
| D | THR126 |
| D | ASP242 |
| D | PIR400 |
| D | HOH441 |
| site_id | AC5 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE PIR A 400 |
| Chain | Residue |
| A | ASP14 |
| A | ASP15 |
| A | ASN39 |
| A | ILE81 |
| A | HIS82 |
| A | THR126 |
| A | MET152 |
| A | ASN160 |
| A | GLU166 |
| A | ASN168 |
| A | ARG233 |
| A | ASP242 |
| A | CA316 |
| A | HOH436 |
| site_id | AC6 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE PIR B 400 |
| Chain | Residue |
| B | ASP14 |
| B | ASP15 |
| B | ASN39 |
| B | ILE81 |
| B | HIS82 |
| B | THR126 |
| B | MET152 |
| B | ASN160 |
| B | GLU166 |
| B | ASN168 |
| B | ARG233 |
| B | ASP242 |
| B | CA316 |
| B | HOH428 |
| site_id | AC7 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE PIR C 400 |
| Chain | Residue |
| C | ASP14 |
| C | ASP15 |
| C | ASN39 |
| C | ILE81 |
| C | HIS82 |
| C | THR126 |
| C | MET152 |
| C | ASN160 |
| C | GLU166 |
| C | ASN168 |
| C | ASP242 |
| C | CA316 |
| C | HOH451 |
| site_id | AC8 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE PIR D 400 |
| Chain | Residue |
| D | ASP242 |
| D | CA316 |
| D | ASP14 |
| D | ASP15 |
| D | ASN39 |
| D | ILE81 |
| D | THR126 |
| D | MET152 |
| D | ASN160 |
| D | GLU166 |
| D | ASN168 |
| D | ARG233 |
| site_id | S1 |
| Number of Residues | 5 |
| Details | DESCRIPTION NOT PROVIDED |
| Chain | Residue |
| A | ASP10 |
| A | ASP15 |
| A | ASP242 |
| A | HIS241 |
| A | HIS82 |
| site_id | S2 |
| Number of Residues | 5 |
| Details | DESCRIPTION NOT PROVIDED |
| Chain | Residue |
| B | HIS82 |
| B | ASP10 |
| B | ASP15 |
| B | ASP242 |
| B | HIS241 |
| site_id | S3 |
| Number of Residues | 5 |
| Details | DESCRIPTION NOT PROVIDED |
| Chain | Residue |
| C | ASP10 |
| C | ASP15 |
| C | ASP242 |
| C | HIS241 |
| C | HIS82 |
| site_id | S4 |
| Number of Residues | 5 |
| Details | DESCRIPTION NOT PROVIDED |
| Chain | Residue |
| D | ASP10 |
| D | ASP15 |
| D | ASP242 |
| D | HIS241 |
| D | HIS82 |
Functional Information from PROSITE/UniProt
| site_id | PS01247 |
| Number of Residues | 11 |
| Details | IUNH Inosine-uridine preferring nucleoside hydrolase family signature. DcDPGlDDAVA |
| Chain | Residue | Details |
| A | ASP8-ALA18 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 4 |
| Details | ACT_SITE: Proton donor => ECO:0000305|PubMed:8634238 |
| Chain | Residue | Details |
| A | ASP242 | |
| B | ASP242 | |
| C | ASP242 | |
| D | ASP242 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 16 |
| Details | BINDING: |
| Chain | Residue | Details |
| A | PRO11 | |
| C | ALA16 | |
| C | GLY127 | |
| C | PRO243 | |
| D | PRO11 | |
| D | ALA16 | |
| D | GLY127 | |
| D | PRO243 | |
| A | ALA16 | |
| A | GLY127 | |
| A | PRO243 | |
| B | PRO11 | |
| B | ALA16 | |
| B | GLY127 | |
| B | PRO243 | |
| C | PRO11 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 16 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:8634238 |
| Chain | Residue | Details |
| A | ASP15 | |
| C | ALA161 | |
| C | PHE167 | |
| C | ILE169 | |
| D | ASP15 | |
| D | ALA161 | |
| D | PHE167 | |
| D | ILE169 | |
| A | ALA161 | |
| A | PHE167 | |
| A | ILE169 | |
| B | ASP15 | |
| B | ALA161 | |
| B | PHE167 | |
| B | ILE169 | |
| C | ASP15 |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1mas |
| Chain | Residue | Details |
| A | ASP10 | |
| A | HIS241 | |
| A | ASN168 |
| site_id | CSA2 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1mas |
| Chain | Residue | Details |
| B | ASP10 | |
| B | HIS241 | |
| B | ASN168 |
| site_id | CSA3 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1mas |
| Chain | Residue | Details |
| C | ASP10 | |
| C | HIS241 | |
| C | ASN168 |
| site_id | CSA4 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1mas |
| Chain | Residue | Details |
| D | ASP10 | |
| D | HIS241 | |
| D | ASN168 |
| site_id | MCSA1 |
| Number of Residues | 8 |
| Details | M-CSA 39 |
| Chain | Residue | Details |
| A | PRO11 | hydrogen bond acceptor, hydrogen bond donor, metal ligand, proton acceptor, proton donor |
| A | ALA16 | metal ligand |
| A | GLN40 | metal ligand |
| A | GLY127 | metal ligand |
| A | ASN168 | electrostatic stabiliser |
| A | ILE169 | electrostatic stabiliser, hydrogen bond donor |
| A | ASP242 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| A | PRO243 | metal ligand |
| site_id | MCSA2 |
| Number of Residues | 8 |
| Details | M-CSA 39 |
| Chain | Residue | Details |
| B | PRO11 | hydrogen bond acceptor, hydrogen bond donor, metal ligand, proton acceptor, proton donor |
| B | ALA16 | metal ligand |
| B | GLN40 | metal ligand |
| B | GLY127 | metal ligand |
| B | ASN168 | electrostatic stabiliser |
| B | ILE169 | electrostatic stabiliser, hydrogen bond donor |
| B | ASP242 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| B | PRO243 | metal ligand |
| site_id | MCSA3 |
| Number of Residues | 8 |
| Details | M-CSA 39 |
| Chain | Residue | Details |
| C | PRO11 | hydrogen bond acceptor, hydrogen bond donor, metal ligand, proton acceptor, proton donor |
| C | ALA16 | metal ligand |
| C | GLN40 | metal ligand |
| C | GLY127 | metal ligand |
| C | ASN168 | electrostatic stabiliser |
| C | ILE169 | electrostatic stabiliser, hydrogen bond donor |
| C | ASP242 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| C | PRO243 | metal ligand |
| site_id | MCSA4 |
| Number of Residues | 8 |
| Details | M-CSA 39 |
| Chain | Residue | Details |
| D | PRO11 | hydrogen bond acceptor, hydrogen bond donor, metal ligand, proton acceptor, proton donor |
| D | ALA16 | metal ligand |
| D | GLN40 | metal ligand |
| D | GLY127 | metal ligand |
| D | ASN168 | electrostatic stabiliser |
| D | ILE169 | electrostatic stabiliser, hydrogen bond donor |
| D | ASP242 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| D | PRO243 | metal ligand |
