1KY5
D244E mutant S-Adenosylhomocysteine hydrolase refined with noncrystallographic restraints
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0001666 | biological_process | response to hypoxia |
| A | 0002439 | biological_process | chronic inflammatory response to antigenic stimulus |
| A | 0004013 | molecular_function | adenosylhomocysteinase activity |
| A | 0005507 | molecular_function | copper ion binding |
| A | 0005634 | cellular_component | nucleus |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0005783 | cellular_component | endoplasmic reticulum |
| A | 0005829 | cellular_component | cytosol |
| A | 0006730 | biological_process | one-carbon metabolic process |
| A | 0007584 | biological_process | response to nutrient |
| A | 0016787 | molecular_function | hydrolase activity |
| A | 0019510 | biological_process | S-adenosylhomocysteine catabolic process |
| A | 0030554 | molecular_function | adenyl nucleotide binding |
| A | 0033353 | biological_process | S-adenosylmethionine cycle |
| A | 0042470 | cellular_component | melanosome |
| A | 0042745 | biological_process | circadian sleep/wake cycle |
| A | 0042802 | molecular_function | identical protein binding |
| A | 0051287 | molecular_function | NAD binding |
| A | 0098604 | molecular_function | adenosylselenohomocysteinase activity |
| B | 0001666 | biological_process | response to hypoxia |
| B | 0002439 | biological_process | chronic inflammatory response to antigenic stimulus |
| B | 0004013 | molecular_function | adenosylhomocysteinase activity |
| B | 0005507 | molecular_function | copper ion binding |
| B | 0005634 | cellular_component | nucleus |
| B | 0005737 | cellular_component | cytoplasm |
| B | 0005783 | cellular_component | endoplasmic reticulum |
| B | 0005829 | cellular_component | cytosol |
| B | 0006730 | biological_process | one-carbon metabolic process |
| B | 0007584 | biological_process | response to nutrient |
| B | 0016787 | molecular_function | hydrolase activity |
| B | 0019510 | biological_process | S-adenosylhomocysteine catabolic process |
| B | 0030554 | molecular_function | adenyl nucleotide binding |
| B | 0033353 | biological_process | S-adenosylmethionine cycle |
| B | 0042470 | cellular_component | melanosome |
| B | 0042745 | biological_process | circadian sleep/wake cycle |
| B | 0042802 | molecular_function | identical protein binding |
| B | 0051287 | molecular_function | NAD binding |
| B | 0098604 | molecular_function | adenosylselenohomocysteinase activity |
| C | 0001666 | biological_process | response to hypoxia |
| C | 0002439 | biological_process | chronic inflammatory response to antigenic stimulus |
| C | 0004013 | molecular_function | adenosylhomocysteinase activity |
| C | 0005507 | molecular_function | copper ion binding |
| C | 0005634 | cellular_component | nucleus |
| C | 0005737 | cellular_component | cytoplasm |
| C | 0005783 | cellular_component | endoplasmic reticulum |
| C | 0005829 | cellular_component | cytosol |
| C | 0006730 | biological_process | one-carbon metabolic process |
| C | 0007584 | biological_process | response to nutrient |
| C | 0016787 | molecular_function | hydrolase activity |
| C | 0019510 | biological_process | S-adenosylhomocysteine catabolic process |
| C | 0030554 | molecular_function | adenyl nucleotide binding |
| C | 0033353 | biological_process | S-adenosylmethionine cycle |
| C | 0042470 | cellular_component | melanosome |
| C | 0042745 | biological_process | circadian sleep/wake cycle |
| C | 0042802 | molecular_function | identical protein binding |
| C | 0051287 | molecular_function | NAD binding |
| C | 0098604 | molecular_function | adenosylselenohomocysteinase activity |
| D | 0001666 | biological_process | response to hypoxia |
| D | 0002439 | biological_process | chronic inflammatory response to antigenic stimulus |
| D | 0004013 | molecular_function | adenosylhomocysteinase activity |
| D | 0005507 | molecular_function | copper ion binding |
| D | 0005634 | cellular_component | nucleus |
| D | 0005737 | cellular_component | cytoplasm |
| D | 0005783 | cellular_component | endoplasmic reticulum |
| D | 0005829 | cellular_component | cytosol |
| D | 0006730 | biological_process | one-carbon metabolic process |
| D | 0007584 | biological_process | response to nutrient |
| D | 0016787 | molecular_function | hydrolase activity |
| D | 0019510 | biological_process | S-adenosylhomocysteine catabolic process |
| D | 0030554 | molecular_function | adenyl nucleotide binding |
| D | 0033353 | biological_process | S-adenosylmethionine cycle |
| D | 0042470 | cellular_component | melanosome |
| D | 0042745 | biological_process | circadian sleep/wake cycle |
| D | 0042802 | molecular_function | identical protein binding |
| D | 0051287 | molecular_function | NAD binding |
| D | 0098604 | molecular_function | adenosylselenohomocysteinase activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 25 |
| Details | BINDING SITE FOR RESIDUE NAI A 432 |
| Chain | Residue |
| A | THR156 |
| A | GLU242 |
| A | ILE243 |
| A | GLU244 |
| A | ASN247 |
| A | THR274 |
| A | THR275 |
| A | ILE280 |
| A | ILE298 |
| A | GLY299 |
| A | HIS300 |
| A | THR157 |
| A | LEU343 |
| A | ASN345 |
| A | HIS352 |
| A | ADY433 |
| B | LYS1425 |
| B | TYR1429 |
| A | THR158 |
| A | ASN190 |
| A | GLY219 |
| A | GLY221 |
| A | ASP222 |
| A | VAL223 |
| A | THR241 |
| site_id | AC2 |
| Number of Residues | 17 |
| Details | BINDING SITE FOR RESIDUE ADY A 433 |
| Chain | Residue |
| A | LEU53 |
| A | HIS54 |
| A | THR56 |
| A | GLU58 |
| A | THR59 |
| A | ASP130 |
| A | GLU155 |
| A | THR156 |
| A | LYS185 |
| A | ASP189 |
| A | HIS300 |
| A | MET350 |
| A | GLY351 |
| A | HIS352 |
| A | MET357 |
| A | PHE361 |
| A | NAI432 |
| site_id | AC3 |
| Number of Residues | 24 |
| Details | BINDING SITE FOR RESIDUE NAI B 1432 |
| Chain | Residue |
| A | LYS425 |
| A | TYR429 |
| B | THR1156 |
| B | THR1157 |
| B | THR1158 |
| B | ASN1190 |
| B | GLY1219 |
| B | GLY1221 |
| B | ASP1222 |
| B | VAL1223 |
| B | THR1241 |
| B | GLU1242 |
| B | ILE1243 |
| B | GLU1244 |
| B | ASN1247 |
| B | THR1274 |
| B | THR1275 |
| B | ILE1280 |
| B | ILE1298 |
| B | GLY1299 |
| B | HIS1300 |
| B | LEU1343 |
| B | ASN1345 |
| B | HIS1352 |
| site_id | AC4 |
| Number of Residues | 15 |
| Details | BINDING SITE FOR RESIDUE ADY B 1433 |
| Chain | Residue |
| B | LEU1053 |
| B | HIS1054 |
| B | THR1056 |
| B | GLU1058 |
| B | THR1059 |
| B | ASP1130 |
| B | GLU1155 |
| B | THR1156 |
| B | LYS1185 |
| B | ASP1189 |
| B | HIS1300 |
| B | MET1350 |
| B | HIS1352 |
| B | MET1357 |
| B | PHE1361 |
| site_id | AC5 |
| Number of Residues | 25 |
| Details | BINDING SITE FOR RESIDUE NAI C 2432 |
| Chain | Residue |
| C | HIS2300 |
| C | LEU2343 |
| C | ASN2345 |
| C | HIS2352 |
| D | LEU3408 |
| D | LYS3425 |
| D | TYR3429 |
| C | THR2156 |
| C | THR2157 |
| C | THR2158 |
| C | ASN2190 |
| C | GLY2219 |
| C | GLY2221 |
| C | ASP2222 |
| C | VAL2223 |
| C | THR2241 |
| C | GLU2242 |
| C | ILE2243 |
| C | GLU2244 |
| C | ASN2247 |
| C | THR2274 |
| C | THR2275 |
| C | ILE2280 |
| C | ILE2298 |
| C | GLY2299 |
| site_id | AC6 |
| Number of Residues | 15 |
| Details | BINDING SITE FOR RESIDUE ADY C 2433 |
| Chain | Residue |
| C | LEU2053 |
| C | HIS2054 |
| C | THR2056 |
| C | GLU2058 |
| C | THR2059 |
| C | ASP2130 |
| C | GLU2155 |
| C | THR2156 |
| C | LYS2185 |
| C | ASP2189 |
| C | HIS2300 |
| C | MET2350 |
| C | HIS2352 |
| C | MET2357 |
| C | PHE2361 |
| site_id | AC7 |
| Number of Residues | 24 |
| Details | BINDING SITE FOR RESIDUE NAI D 3432 |
| Chain | Residue |
| C | LYS2425 |
| C | TYR2429 |
| D | THR3156 |
| D | THR3157 |
| D | THR3158 |
| D | ASN3190 |
| D | GLY3219 |
| D | GLY3221 |
| D | ASP3222 |
| D | VAL3223 |
| D | THR3241 |
| D | GLU3242 |
| D | ILE3243 |
| D | GLU3244 |
| D | ASN3247 |
| D | THR3274 |
| D | THR3275 |
| D | ILE3280 |
| D | ILE3298 |
| D | GLY3299 |
| D | HIS3300 |
| D | LEU3343 |
| D | ASN3345 |
| D | HIS3352 |
| site_id | AC8 |
| Number of Residues | 15 |
| Details | BINDING SITE FOR RESIDUE ADY D 3433 |
| Chain | Residue |
| D | LEU3053 |
| D | HIS3054 |
| D | THR3056 |
| D | GLU3058 |
| D | THR3059 |
| D | ASP3130 |
| D | GLU3155 |
| D | THR3156 |
| D | LYS3185 |
| D | ASP3189 |
| D | HIS3300 |
| D | MET3350 |
| D | HIS3352 |
| D | MET3357 |
| D | PHE3361 |
Functional Information from PROSITE/UniProt
| site_id | PS00738 |
| Number of Residues | 15 |
| Details | ADOHCYASE_1 S-adenosyl-L-homocysteine hydrolase signature 1. SCNiFSTQDhAAAAI |
| Chain | Residue | Details |
| A | SER77-ILE91 |
| site_id | PS00739 |
| Number of Residues | 17 |
| Details | ADOHCYASE_2 S-adenosyl-L-homocysteine hydrolase signature 2. GKvavVaGYGdVGKGc.A |
| Chain | Residue | Details |
| A | GLY212-ALA228 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 8 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:11741948 |
| Chain | Residue | Details |
| A | VAL57 | |
| A | THR156 | |
| B | VAL1057 | |
| B | THR1156 | |
| C | VAL2057 | |
| C | THR2156 | |
| D | VAL3057 | |
| D | THR3156 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 4 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:11927587 |
| Chain | Residue | Details |
| A | GLY131 | |
| B | GLY1131 | |
| C | GLY2131 | |
| D | GLY3131 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 4 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:10913437, ECO:0000269|PubMed:11741948, ECO:0000269|PubMed:11927587, ECO:0007744|PDB:1D4F, ECO:0007744|PDB:1K0U, ECO:0007744|PDB:1KY5, ECO:0007744|PDB:2H5L |
| Chain | Residue | Details |
| A | THR157 | |
| B | THR1157 | |
| C | THR2157 | |
| D | THR3157 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 8 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:11741948, ECO:0000269|PubMed:11927587 |
| Chain | Residue | Details |
| A | SER186 | |
| A | ASN190 | |
| B | SER1186 | |
| B | ASN1190 | |
| C | SER2186 | |
| C | ASN2190 | |
| D | SER3186 | |
| D | ASN3190 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 8 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:10387078 |
| Chain | Residue | Details |
| A | ASP222 | |
| A | ILE243 | |
| B | ASP1222 | |
| B | ILE1243 | |
| C | ASP2222 | |
| C | ILE2243 | |
| D | ASP3222 | |
| D | ILE3243 |
| site_id | SWS_FT_FI6 |
| Number of Residues | 4 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:10913437, ECO:0000269|PubMed:11741948, ECO:0000269|PubMed:11927587, ECO:0007744|PDB:1D4F, ECO:0007744|PDB:1K0U, ECO:0007744|PDB:1KY4, ECO:0007744|PDB:1XWF, ECO:0007744|PDB:2H5L |
| Chain | Residue | Details |
| A | ALA248 | |
| B | ALA1248 | |
| C | ALA2248 | |
| D | ALA3248 |
| site_id | SWS_FT_FI7 |
| Number of Residues | 12 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:10387078, ECO:0000269|PubMed:10913437, ECO:0000269|PubMed:11741948, ECO:0000269|PubMed:11927587, ECO:0007744|PDB:1B3R, ECO:0007744|PDB:1D4F, ECO:0007744|PDB:1K0U, ECO:0007744|PDB:1KY4, ECO:0007744|PDB:1KY5, ECO:0007744|PDB:1XWF, ECO:0007744|PDB:2H5L |
| Chain | Residue | Details |
| A | GLY299 | |
| D | GLY3299 | |
| D | LEU3346 | |
| D | ARG3430 | |
| A | LEU346 | |
| A | ARG430 | |
| B | GLY1299 | |
| B | LEU1346 | |
| B | ARG1430 | |
| C | GLY2299 | |
| C | LEU2346 | |
| C | ARG2430 |
| site_id | SWS_FT_FI8 |
| Number of Residues | 4 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:10387078, ECO:0000269|PubMed:10913437, ECO:0000269|PubMed:11741948, ECO:0007744|PDB:1B3R, ECO:0007744|PDB:1D4F, ECO:0007744|PDB:1K0U, ECO:0007744|PDB:1XWF, ECO:0007744|PDB:2H5L |
| Chain | Residue | Details |
| A | PRO353 | |
| B | PRO1353 | |
| C | PRO2353 | |
| D | PRO3353 |
| site_id | SWS_FT_FI9 |
| Number of Residues | 4 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:10387078, ECO:0000269|PubMed:11741948, ECO:0000269|PubMed:11927587, ECO:0007744|PDB:1B3R, ECO:0007744|PDB:1K0U, ECO:0007744|PDB:1KY4, ECO:0007744|PDB:1KY5, ECO:0007744|PDB:1XWF, ECO:0007744|PDB:2H5L |
| Chain | Residue | Details |
| A | PRO426 | |
| B | PRO1426 | |
| C | PRO2426 | |
| D | PRO3426 |
| site_id | SWS_FT_FI10 |
| Number of Residues | 4 |
| Details | MOD_RES: Phosphoserine => ECO:0000250|UniProtKB:P23526 |
| Chain | Residue | Details |
| A | VAL183 | |
| B | VAL1183 | |
| C | VAL2183 | |
| D | VAL3183 |
| site_id | SWS_FT_FI11 |
| Number of Residues | 4 |
| Details | MOD_RES: N6-(2-hydroxyisobutyryl)lysine => ECO:0000250|UniProtKB:P23526 |
| Chain | Residue | Details |
| A | SER186 | |
| B | SER1186 | |
| C | SER2186 | |
| D | SER3186 |
| site_id | SWS_FT_FI12 |
| Number of Residues | 4 |
| Details | MOD_RES: Phosphotyrosine => ECO:0000250|UniProtKB:P50247 |
| Chain | Residue | Details |
| A | GLY193 | |
| B | GLY1193 | |
| C | GLY2193 | |
| D | GLY3193 |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 7 |
| Details | Annotated By Reference To The Literature 1b3r |
| Chain | Residue | Details |
| A | HIS54 | |
| A | LYS185 | |
| A | ASP189 | |
| A | HIS300 | |
| A | ASP130 | |
| A | CYS194 | |
| A | ASN190 |
| site_id | CSA2 |
| Number of Residues | 7 |
| Details | Annotated By Reference To The Literature 1b3r |
| Chain | Residue | Details |
| B | ASP1189 | |
| B | CYS1194 | |
| B | ASN1190 | |
| B | HIS1300 | |
| B | ASP1130 | |
| B | LYS1185 | |
| B | HIS1054 |
| site_id | CSA3 |
| Number of Residues | 7 |
| Details | Annotated By Reference To The Literature 1b3r |
| Chain | Residue | Details |
| C | LYS2185 | |
| C | HIS2054 | |
| C | ASN2190 | |
| C | ASP2130 | |
| C | ASP2189 | |
| C | HIS2300 | |
| C | CYS2194 |
| site_id | CSA4 |
| Number of Residues | 7 |
| Details | Annotated By Reference To The Literature 1b3r |
| Chain | Residue | Details |
| D | HIS3054 | |
| D | ASN3190 | |
| D | ASP3189 | |
| D | HIS3300 | |
| D | CYS3194 | |
| D | ASP3130 | |
| D | LYS3185 |
| site_id | MCSA1 |
| Number of Residues | 14 |
| Details | M-CSA 90 |
| Chain | Residue | Details |
| A | MET55 | electrostatic stabiliser, hydrogen bond acceptor, proton acceptor, proton donor |
| A | ARG195 | electrostatic stabiliser, polar/non-polar interaction |
| A | PHE301 | activator, electrostatic stabiliser, hydrogen bond acceptor |
| A | PRO353 | electrostatic stabiliser |
| A | PHE361 | electrostatic stabiliser, hydrogen bond donor |
| A | VAL365 | activator, electrostatic stabiliser |
| A | CYS78 | electrostatic stabiliser |
| A | THR83 | electrostatic stabiliser |
| A | GLY131 | electrostatic stabiliser, hydrogen bond acceptor, proton acceptor, proton donor |
| A | THR156 | electrostatic stabiliser, proton acceptor, proton donor |
| A | ASP181 | activator, electrostatic stabiliser |
| A | SER186 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| A | ASN190 | electrostatic stabiliser, hydrogen bond acceptor, proton acceptor, proton donor |
| A | LEU191 | electrostatic stabiliser, hydrogen bond acceptor |
| site_id | MCSA2 |
| Number of Residues | 14 |
| Details | M-CSA 90 |
| Chain | Residue | Details |
| B | MET1055 | electrostatic stabiliser, hydrogen bond acceptor, proton acceptor, proton donor |
| B | ARG1195 | electrostatic stabiliser, polar/non-polar interaction |
| B | PHE1301 | activator, electrostatic stabiliser, hydrogen bond acceptor |
| B | PRO1353 | electrostatic stabiliser |
| B | PHE1361 | electrostatic stabiliser, hydrogen bond donor |
| B | VAL1365 | activator, electrostatic stabiliser |
| B | CYS1078 | electrostatic stabiliser |
| B | THR1083 | electrostatic stabiliser |
| B | GLY1131 | electrostatic stabiliser, hydrogen bond acceptor, proton acceptor, proton donor |
| B | THR1156 | electrostatic stabiliser, proton acceptor, proton donor |
| B | ASP1181 | activator, electrostatic stabiliser |
| B | SER1186 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| B | ASN1190 | electrostatic stabiliser, hydrogen bond acceptor, proton acceptor, proton donor |
| B | LEU1191 | electrostatic stabiliser, hydrogen bond acceptor |
| site_id | MCSA3 |
| Number of Residues | 14 |
| Details | M-CSA 90 |
| Chain | Residue | Details |
| C | MET2055 | electrostatic stabiliser, hydrogen bond acceptor, proton acceptor, proton donor |
| C | ARG2195 | electrostatic stabiliser, polar/non-polar interaction |
| C | PHE2301 | activator, electrostatic stabiliser, hydrogen bond acceptor |
| C | PRO2353 | electrostatic stabiliser |
| C | PHE2361 | electrostatic stabiliser, hydrogen bond donor |
| C | VAL2365 | activator, electrostatic stabiliser |
| C | CYS2078 | electrostatic stabiliser |
| C | THR2083 | electrostatic stabiliser |
| C | GLY2131 | electrostatic stabiliser, hydrogen bond acceptor, proton acceptor, proton donor |
| C | THR2156 | electrostatic stabiliser, proton acceptor, proton donor |
| C | ASP2181 | activator, electrostatic stabiliser |
| C | SER2186 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| C | ASN2190 | electrostatic stabiliser, hydrogen bond acceptor, proton acceptor, proton donor |
| C | LEU2191 | electrostatic stabiliser, hydrogen bond acceptor |
| site_id | MCSA4 |
| Number of Residues | 14 |
| Details | M-CSA 90 |
| Chain | Residue | Details |
| D | MET3055 | electrostatic stabiliser, hydrogen bond acceptor, proton acceptor, proton donor |
| D | ARG3195 | electrostatic stabiliser, polar/non-polar interaction |
| D | PHE3301 | activator, electrostatic stabiliser, hydrogen bond acceptor |
| D | PRO3353 | electrostatic stabiliser |
| D | PHE3361 | electrostatic stabiliser, hydrogen bond donor |
| D | VAL3365 | activator, electrostatic stabiliser |
| D | CYS3078 | electrostatic stabiliser |
| D | THR3083 | electrostatic stabiliser |
| D | GLY3131 | electrostatic stabiliser, hydrogen bond acceptor, proton acceptor, proton donor |
| D | THR3156 | electrostatic stabiliser, proton acceptor, proton donor |
| D | ASP3181 | activator, electrostatic stabiliser |
| D | SER3186 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| D | ASN3190 | electrostatic stabiliser, hydrogen bond acceptor, proton acceptor, proton donor |
| D | LEU3191 | electrostatic stabiliser, hydrogen bond acceptor |
