4TTI
Crystal structure of double mutant E. Coli purine nucleoside phosphorylase with 4 FMC molecules
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0003824 | molecular_function | catalytic activity |
| A | 0004731 | molecular_function | purine-nucleoside phosphorylase activity |
| A | 0005829 | cellular_component | cytosol |
| A | 0006139 | biological_process | nucleobase-containing compound metabolic process |
| A | 0006152 | biological_process | purine nucleoside catabolic process |
| A | 0006974 | biological_process | DNA damage response |
| A | 0009116 | biological_process | nucleoside metabolic process |
| A | 0009164 | biological_process | nucleoside catabolic process |
| A | 0016020 | cellular_component | membrane |
| A | 0016740 | molecular_function | transferase activity |
| A | 0016757 | molecular_function | glycosyltransferase activity |
| A | 0016763 | molecular_function | pentosyltransferase activity |
| A | 0019686 | biological_process | purine nucleoside interconversion |
| A | 0042278 | biological_process | purine nucleoside metabolic process |
| A | 0042802 | molecular_function | identical protein binding |
| A | 0047975 | molecular_function | guanosine phosphorylase activity |
| B | 0003824 | molecular_function | catalytic activity |
| B | 0004731 | molecular_function | purine-nucleoside phosphorylase activity |
| B | 0005829 | cellular_component | cytosol |
| B | 0006139 | biological_process | nucleobase-containing compound metabolic process |
| B | 0006152 | biological_process | purine nucleoside catabolic process |
| B | 0006974 | biological_process | DNA damage response |
| B | 0009116 | biological_process | nucleoside metabolic process |
| B | 0009164 | biological_process | nucleoside catabolic process |
| B | 0016020 | cellular_component | membrane |
| B | 0016740 | molecular_function | transferase activity |
| B | 0016757 | molecular_function | glycosyltransferase activity |
| B | 0016763 | molecular_function | pentosyltransferase activity |
| B | 0019686 | biological_process | purine nucleoside interconversion |
| B | 0042278 | biological_process | purine nucleoside metabolic process |
| B | 0042802 | molecular_function | identical protein binding |
| B | 0047975 | molecular_function | guanosine phosphorylase activity |
| C | 0003824 | molecular_function | catalytic activity |
| C | 0004731 | molecular_function | purine-nucleoside phosphorylase activity |
| C | 0005829 | cellular_component | cytosol |
| C | 0006139 | biological_process | nucleobase-containing compound metabolic process |
| C | 0006152 | biological_process | purine nucleoside catabolic process |
| C | 0006974 | biological_process | DNA damage response |
| C | 0009116 | biological_process | nucleoside metabolic process |
| C | 0009164 | biological_process | nucleoside catabolic process |
| C | 0016020 | cellular_component | membrane |
| C | 0016740 | molecular_function | transferase activity |
| C | 0016757 | molecular_function | glycosyltransferase activity |
| C | 0016763 | molecular_function | pentosyltransferase activity |
| C | 0019686 | biological_process | purine nucleoside interconversion |
| C | 0042278 | biological_process | purine nucleoside metabolic process |
| C | 0042802 | molecular_function | identical protein binding |
| C | 0047975 | molecular_function | guanosine phosphorylase activity |
| D | 0003824 | molecular_function | catalytic activity |
| D | 0004731 | molecular_function | purine-nucleoside phosphorylase activity |
| D | 0005829 | cellular_component | cytosol |
| D | 0006139 | biological_process | nucleobase-containing compound metabolic process |
| D | 0006152 | biological_process | purine nucleoside catabolic process |
| D | 0006974 | biological_process | DNA damage response |
| D | 0009116 | biological_process | nucleoside metabolic process |
| D | 0009164 | biological_process | nucleoside catabolic process |
| D | 0016020 | cellular_component | membrane |
| D | 0016740 | molecular_function | transferase activity |
| D | 0016757 | molecular_function | glycosyltransferase activity |
| D | 0016763 | molecular_function | pentosyltransferase activity |
| D | 0019686 | biological_process | purine nucleoside interconversion |
| D | 0042278 | biological_process | purine nucleoside metabolic process |
| D | 0042802 | molecular_function | identical protein binding |
| D | 0047975 | molecular_function | guanosine phosphorylase activity |
| E | 0003824 | molecular_function | catalytic activity |
| E | 0004731 | molecular_function | purine-nucleoside phosphorylase activity |
| E | 0005829 | cellular_component | cytosol |
| E | 0006139 | biological_process | nucleobase-containing compound metabolic process |
| E | 0006152 | biological_process | purine nucleoside catabolic process |
| E | 0006974 | biological_process | DNA damage response |
| E | 0009116 | biological_process | nucleoside metabolic process |
| E | 0009164 | biological_process | nucleoside catabolic process |
| E | 0016020 | cellular_component | membrane |
| E | 0016740 | molecular_function | transferase activity |
| E | 0016757 | molecular_function | glycosyltransferase activity |
| E | 0016763 | molecular_function | pentosyltransferase activity |
| E | 0019686 | biological_process | purine nucleoside interconversion |
| E | 0042278 | biological_process | purine nucleoside metabolic process |
| E | 0042802 | molecular_function | identical protein binding |
| E | 0047975 | molecular_function | guanosine phosphorylase activity |
| F | 0003824 | molecular_function | catalytic activity |
| F | 0004731 | molecular_function | purine-nucleoside phosphorylase activity |
| F | 0005829 | cellular_component | cytosol |
| F | 0006139 | biological_process | nucleobase-containing compound metabolic process |
| F | 0006152 | biological_process | purine nucleoside catabolic process |
| F | 0006974 | biological_process | DNA damage response |
| F | 0009116 | biological_process | nucleoside metabolic process |
| F | 0009164 | biological_process | nucleoside catabolic process |
| F | 0016020 | cellular_component | membrane |
| F | 0016740 | molecular_function | transferase activity |
| F | 0016757 | molecular_function | glycosyltransferase activity |
| F | 0016763 | molecular_function | pentosyltransferase activity |
| F | 0019686 | biological_process | purine nucleoside interconversion |
| F | 0042278 | biological_process | purine nucleoside metabolic process |
| F | 0042802 | molecular_function | identical protein binding |
| F | 0047975 | molecular_function | guanosine phosphorylase activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 15 |
| Details | binding site for residue FMC A 300 |
| Chain | Residue |
| A | ARG87 |
| A | SER203 |
| A | PO4301 |
| A | HOH572 |
| A | HOH573 |
| D | HIS4 |
| D | ARG43 |
| A | SER90 |
| A | CYS91 |
| A | GLY92 |
| A | PHE159 |
| A | VAL178 |
| A | GLU179 |
| A | MET180 |
| A | GLU181 |
| site_id | AC2 |
| Number of Residues | 7 |
| Details | binding site for residue PO4 A 301 |
| Chain | Residue |
| A | GLY20 |
| A | ARG24 |
| A | ARG87 |
| A | GLY89 |
| A | SER90 |
| A | FMC300 |
| D | ARG43 |
| site_id | AC3 |
| Number of Residues | 7 |
| Details | binding site for residue PO4 B 301 |
| Chain | Residue |
| B | GLY20 |
| B | ARG24 |
| B | ARG87 |
| B | GLY89 |
| B | SER90 |
| B | HOH474 |
| E | ARG43 |
| site_id | AC4 |
| Number of Residues | 15 |
| Details | binding site for residue FMC C 301 |
| Chain | Residue |
| C | ARG87 |
| C | SER90 |
| C | CYS91 |
| C | GLY92 |
| C | PHE159 |
| C | VAL178 |
| C | GLU179 |
| C | MET180 |
| C | GLU181 |
| C | PO4302 |
| C | HOH404 |
| C | HOH584 |
| C | HOH603 |
| F | HIS4 |
| F | ARG43 |
| site_id | AC5 |
| Number of Residues | 8 |
| Details | binding site for residue PO4 C 302 |
| Chain | Residue |
| C | GLY20 |
| C | ARG87 |
| C | GLY89 |
| C | SER90 |
| C | FMC301 |
| C | HOH587 |
| C | HOH589 |
| F | ARG43 |
| site_id | AC6 |
| Number of Residues | 2 |
| Details | binding site for residue SO4 C 303 |
| Chain | Residue |
| C | THR219 |
| C | ASN222 |
| site_id | AC7 |
| Number of Residues | 4 |
| Details | binding site for residue SO4 C 304 |
| Chain | Residue |
| C | HOH402 |
| E | ARG101 |
| E | THR220 |
| E | PHE221 |
| site_id | AC8 |
| Number of Residues | 7 |
| Details | binding site for residue PO4 D 301 |
| Chain | Residue |
| A | ARG43 |
| D | GLY20 |
| D | ARG87 |
| D | GLY89 |
| D | SER90 |
| D | FMC302 |
| D | HOH487 |
| site_id | AC9 |
| Number of Residues | 15 |
| Details | binding site for residue FMC D 302 |
| Chain | Residue |
| A | HIS4 |
| A | ARG43 |
| D | MET64 |
| D | ARG87 |
| D | SER90 |
| D | CYS91 |
| D | GLY92 |
| D | PHE159 |
| D | VAL178 |
| D | GLU179 |
| D | MET180 |
| D | GLU181 |
| D | PO4301 |
| D | HOH520 |
| D | HOH551 |
| site_id | AD1 |
| Number of Residues | 5 |
| Details | binding site for residue SO4 D 303 |
| Chain | Residue |
| A | HIS97 |
| A | HOH405 |
| D | HIS97 |
| D | ARG149 |
| D | HOH403 |
| site_id | AD2 |
| Number of Residues | 7 |
| Details | binding site for residue PO4 E 301 |
| Chain | Residue |
| B | ARG43 |
| E | GLY20 |
| E | ARG87 |
| E | GLY89 |
| E | SER90 |
| E | HOH436 |
| E | HOH499 |
| site_id | AD3 |
| Number of Residues | 3 |
| Details | binding site for residue SO4 E 302 |
| Chain | Residue |
| C | HOH402 |
| E | THR220 |
| E | ASN222 |
| site_id | AD4 |
| Number of Residues | 16 |
| Details | binding site for residue FMC F 301 |
| Chain | Residue |
| F | SER90 |
| F | CYS91 |
| F | GLY92 |
| F | PHE159 |
| F | VAL178 |
| F | GLU179 |
| F | MET180 |
| F | GLU181 |
| F | SER203 |
| F | PO4302 |
| F | HOH552 |
| F | HOH599 |
| C | HIS4 |
| C | ARG43 |
| F | MET64 |
| F | ARG87 |
| site_id | AD5 |
| Number of Residues | 8 |
| Details | binding site for residue PO4 F 302 |
| Chain | Residue |
| C | ARG43 |
| F | PRO19 |
| F | GLY20 |
| F | ARG24 |
| F | ARG87 |
| F | GLY89 |
| F | SER90 |
| F | FMC301 |
| site_id | AD6 |
| Number of Residues | 9 |
| Details | binding site for residue SO4 F 303 |
| Chain | Residue |
| A | ALA214 |
| A | ALA215 |
| A | HOH417 |
| F | ASN222 |
| F | HOH402 |
| F | HOH406 |
| F | HOH417 |
| F | HOH426 |
| F | HOH436 |
Functional Information from PROSITE/UniProt
| site_id | PS01232 |
| Number of Residues | 16 |
| Details | PNP_UDP_1 Purine and other phosphorylases family 1 signature. GhGMGiPScSIytkEL |
| Chain | Residue | Details |
| A | GLY61-LEU76 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 6 |
| Details | ACT_SITE: Proton donor => ECO:0000255|HAMAP-Rule:MF_01627, ECO:0000269|PubMed:30337572 |
| Chain | Residue | Details |
| A | ALA204 | |
| B | ALA204 | |
| C | ALA204 | |
| D | ALA204 | |
| E | ALA204 | |
| F | ALA204 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 6 |
| Details | BINDING: BINDING => ECO:0000305|PubMed:30337572, ECO:0007744|PDB:4TS3, ECO:0007744|PDB:4TS9, ECO:0007744|PDB:4TTA, ECO:0007744|PDB:4TTI, ECO:0007744|PDB:4TTJ |
| Chain | Residue | Details |
| A | HIS4 | |
| B | HIS4 | |
| C | HIS4 | |
| D | HIS4 | |
| E | HIS4 | |
| F | HIS4 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 18 |
| Details | BINDING: in other chain => ECO:0000269|PubMed:11786017, ECO:0000269|PubMed:21672603, ECO:0000269|PubMed:30337572, ECO:0007744|PDB:1K9S, ECO:0007744|PDB:3ONV, ECO:0007744|PDB:3OOE, ECO:0007744|PDB:3OOH, ECO:0007744|PDB:3OPV, ECO:0007744|PDB:4TS3, ECO:0007744|PDB:4TS9, ECO:0007744|PDB:4TTA, ECO:0007744|PDB:4TTI, ECO:0007744|PDB:4TTJ |
| Chain | Residue | Details |
| A | GLY20 | |
| D | GLY20 | |
| D | ARG24 | |
| D | ARG87 | |
| E | GLY20 | |
| E | ARG24 | |
| E | ARG87 | |
| F | GLY20 | |
| F | ARG24 | |
| F | ARG87 | |
| A | ARG24 | |
| A | ARG87 | |
| B | GLY20 | |
| B | ARG24 | |
| B | ARG87 | |
| C | GLY20 | |
| C | ARG24 | |
| C | ARG87 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 6 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:11786017, ECO:0000269|PubMed:21672603, ECO:0000269|PubMed:30337572, ECO:0007744|PDB:1K9S, ECO:0007744|PDB:3ONV, ECO:0007744|PDB:3OOE, ECO:0007744|PDB:3OOH, ECO:0007744|PDB:3OPV, ECO:0007744|PDB:4TS3, ECO:0007744|PDB:4TS9, ECO:0007744|PDB:4TTA, ECO:0007744|PDB:4TTI, ECO:0007744|PDB:4TTJ |
| Chain | Residue | Details |
| A | ARG43 | |
| B | ARG43 | |
| C | ARG43 | |
| D | ARG43 | |
| E | ARG43 | |
| F | ARG43 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 12 |
| Details | BINDING: in other chain => ECO:0000305|PubMed:30337572, ECO:0007744|PDB:4TS3, ECO:0007744|PDB:4TS9, ECO:0007744|PDB:4TTA, ECO:0007744|PDB:4TTI, ECO:0007744|PDB:4TTJ |
| Chain | Residue | Details |
| A | GLU179 | |
| E | SER203 | |
| F | GLU179 | |
| F | SER203 | |
| A | SER203 | |
| B | GLU179 | |
| B | SER203 | |
| C | GLU179 | |
| C | SER203 | |
| D | GLU179 | |
| D | SER203 | |
| E | GLU179 |
| site_id | SWS_FT_FI6 |
| Number of Residues | 6 |
| Details | SITE: Important for catalytic activity => ECO:0000255|HAMAP-Rule:MF_01627, ECO:0000269|PubMed:21672603, ECO:0000269|PubMed:30337572 |
| Chain | Residue | Details |
| A | ALA217 | |
| B | ALA217 | |
| C | ALA217 | |
| D | ALA217 | |
| E | ALA217 | |
| F | ALA217 |
| site_id | SWS_FT_FI7 |
| Number of Residues | 6 |
| Details | MOD_RES: N6-acetyllysine => ECO:0000269|PubMed:18723842 |
| Chain | Residue | Details |
| A | LYS26 | |
| B | LYS26 | |
| C | LYS26 | |
| D | LYS26 | |
| E | LYS26 | |
| F | LYS26 |
Catalytic Information from CSA
| site_id | MCSA1 |
| Number of Residues | 7 |
| Details | M-CSA 375 |
| Chain | Residue | Details |
| A | GLY20 | electrostatic stabiliser |
| A | ARG24 | electrostatic stabiliser |
| A | ARG43 | electrostatic stabiliser |
| A | ARG87 | electrostatic stabiliser |
| A | SER90 | electrostatic stabiliser |
| A | ALA204 | proton shuttle (general acid/base) |
| A | ALA217 | enhance reactivity |
| site_id | MCSA2 |
| Number of Residues | 7 |
| Details | M-CSA 375 |
| Chain | Residue | Details |
| B | GLY20 | electrostatic stabiliser |
| B | ARG24 | electrostatic stabiliser |
| B | ARG43 | electrostatic stabiliser |
| B | ARG87 | electrostatic stabiliser |
| B | SER90 | electrostatic stabiliser |
| B | ALA204 | proton shuttle (general acid/base) |
| B | ALA217 | enhance reactivity |
| site_id | MCSA3 |
| Number of Residues | 7 |
| Details | M-CSA 375 |
| Chain | Residue | Details |
| C | GLY20 | electrostatic stabiliser |
| C | ARG24 | electrostatic stabiliser |
| C | ARG43 | electrostatic stabiliser |
| C | ARG87 | electrostatic stabiliser |
| C | SER90 | electrostatic stabiliser |
| C | ALA204 | proton shuttle (general acid/base) |
| C | ALA217 | enhance reactivity |
| site_id | MCSA4 |
| Number of Residues | 7 |
| Details | M-CSA 375 |
| Chain | Residue | Details |
| D | GLY20 | electrostatic stabiliser |
| D | ARG24 | electrostatic stabiliser |
| D | ARG43 | electrostatic stabiliser |
| D | ARG87 | electrostatic stabiliser |
| D | SER90 | electrostatic stabiliser |
| D | ALA204 | proton shuttle (general acid/base) |
| D | ALA217 | enhance reactivity |
| site_id | MCSA5 |
| Number of Residues | 7 |
| Details | M-CSA 375 |
| Chain | Residue | Details |
| E | GLY20 | electrostatic stabiliser |
| E | ARG24 | electrostatic stabiliser |
| E | ARG43 | electrostatic stabiliser |
| E | ARG87 | electrostatic stabiliser |
| E | SER90 | electrostatic stabiliser |
| E | ALA204 | proton shuttle (general acid/base) |
| E | ALA217 | enhance reactivity |
| site_id | MCSA6 |
| Number of Residues | 7 |
| Details | M-CSA 375 |
| Chain | Residue | Details |
| F | GLY20 | electrostatic stabiliser |
| F | ARG24 | electrostatic stabiliser |
| F | ARG43 | electrostatic stabiliser |
| F | ARG87 | electrostatic stabiliser |
| F | SER90 | electrostatic stabiliser |
| F | ALA204 | proton shuttle (general acid/base) |
| F | ALA217 | enhance reactivity |
