6KUZ
E.coli beta-galactosidase (E537Q) in complex with fluorescent probe KSL01
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000287 | molecular_function | magnesium ion binding |
| A | 0003824 | molecular_function | catalytic activity |
| A | 0004553 | molecular_function | hydrolase activity, hydrolyzing O-glycosyl compounds |
| A | 0004565 | molecular_function | beta-galactosidase activity |
| A | 0005975 | biological_process | carbohydrate metabolic process |
| A | 0005990 | biological_process | lactose catabolic process |
| A | 0009341 | cellular_component | beta-galactosidase complex |
| A | 0016787 | molecular_function | hydrolase activity |
| A | 0016798 | molecular_function | hydrolase activity, acting on glycosyl bonds |
| A | 0030246 | molecular_function | carbohydrate binding |
| A | 0031420 | molecular_function | alkali metal ion binding |
| A | 0042802 | molecular_function | identical protein binding |
| A | 0046872 | molecular_function | metal ion binding |
| B | 0000287 | molecular_function | magnesium ion binding |
| B | 0003824 | molecular_function | catalytic activity |
| B | 0004553 | molecular_function | hydrolase activity, hydrolyzing O-glycosyl compounds |
| B | 0004565 | molecular_function | beta-galactosidase activity |
| B | 0005975 | biological_process | carbohydrate metabolic process |
| B | 0005990 | biological_process | lactose catabolic process |
| B | 0009341 | cellular_component | beta-galactosidase complex |
| B | 0016787 | molecular_function | hydrolase activity |
| B | 0016798 | molecular_function | hydrolase activity, acting on glycosyl bonds |
| B | 0030246 | molecular_function | carbohydrate binding |
| B | 0031420 | molecular_function | alkali metal ion binding |
| B | 0042802 | molecular_function | identical protein binding |
| B | 0046872 | molecular_function | metal ion binding |
| C | 0000287 | molecular_function | magnesium ion binding |
| C | 0003824 | molecular_function | catalytic activity |
| C | 0004553 | molecular_function | hydrolase activity, hydrolyzing O-glycosyl compounds |
| C | 0004565 | molecular_function | beta-galactosidase activity |
| C | 0005975 | biological_process | carbohydrate metabolic process |
| C | 0005990 | biological_process | lactose catabolic process |
| C | 0009341 | cellular_component | beta-galactosidase complex |
| C | 0016787 | molecular_function | hydrolase activity |
| C | 0016798 | molecular_function | hydrolase activity, acting on glycosyl bonds |
| C | 0030246 | molecular_function | carbohydrate binding |
| C | 0031420 | molecular_function | alkali metal ion binding |
| C | 0042802 | molecular_function | identical protein binding |
| C | 0046872 | molecular_function | metal ion binding |
| D | 0000287 | molecular_function | magnesium ion binding |
| D | 0003824 | molecular_function | catalytic activity |
| D | 0004553 | molecular_function | hydrolase activity, hydrolyzing O-glycosyl compounds |
| D | 0004565 | molecular_function | beta-galactosidase activity |
| D | 0005975 | biological_process | carbohydrate metabolic process |
| D | 0005990 | biological_process | lactose catabolic process |
| D | 0009341 | cellular_component | beta-galactosidase complex |
| D | 0016787 | molecular_function | hydrolase activity |
| D | 0016798 | molecular_function | hydrolase activity, acting on glycosyl bonds |
| D | 0030246 | molecular_function | carbohydrate binding |
| D | 0031420 | molecular_function | alkali metal ion binding |
| D | 0042802 | molecular_function | identical protein binding |
| D | 0046872 | molecular_function | metal ion binding |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 20 |
| Details | binding site for residue DVL A 1101 |
| Chain | Residue |
| A | ASN102 |
| A | TRP568 |
| A | ASN604 |
| A | TRP999 |
| A | NA1102 |
| A | MG1118 |
| A | HOH1203 |
| A | HOH1212 |
| A | HOH1232 |
| A | HOH1328 |
| B | GLU281 |
| A | ASP201 |
| B | ARG282 |
| A | HIS391 |
| A | HIS418 |
| A | ASN460 |
| A | GLU461 |
| A | TYR503 |
| A | GLN537 |
| A | HIS540 |
| site_id | AC2 |
| Number of Residues | 5 |
| Details | binding site for residue NA A 1102 |
| Chain | Residue |
| A | ASP201 |
| A | PHE601 |
| A | ASN604 |
| A | DVL1101 |
| A | HOH1213 |
| site_id | AC3 |
| Number of Residues | 6 |
| Details | binding site for residue NA A 1103 |
| Chain | Residue |
| A | PHE556 |
| A | TYR559 |
| A | PRO560 |
| A | LEU562 |
| A | HOH1309 |
| A | HOH1318 |
| site_id | AC4 |
| Number of Residues | 4 |
| Details | binding site for residue NA A 1104 |
| Chain | Residue |
| A | SER647 |
| A | GLU650 |
| A | LEU670 |
| A | DMS1105 |
| site_id | AC5 |
| Number of Residues | 5 |
| Details | binding site for residue DMS A 1105 |
| Chain | Residue |
| A | ASP648 |
| A | ASN649 |
| A | GLU650 |
| A | ASN704 |
| A | NA1104 |
| site_id | AC6 |
| Number of Residues | 1 |
| Details | binding site for residue DMS A 1106 |
| Chain | Residue |
| A | ASP45 |
| site_id | AC7 |
| Number of Residues | 6 |
| Details | binding site for residue DMS A 1107 |
| Chain | Residue |
| A | THR257 |
| A | HIS316 |
| A | HOH1306 |
| B | GLU40 |
| B | ARG46 |
| B | GLU264 |
| site_id | AC8 |
| Number of Residues | 1 |
| Details | binding site for residue DMS A 1108 |
| Chain | Residue |
| A | PRO596 |
| site_id | AC9 |
| Number of Residues | 2 |
| Details | binding site for residue DMS A 1109 |
| Chain | Residue |
| A | THR271 |
| A | ARG292 |
| site_id | AD1 |
| Number of Residues | 3 |
| Details | binding site for residue DMS A 1110 |
| Chain | Residue |
| A | HIS93 |
| A | GLY94 |
| A | TYR95 |
| site_id | AD2 |
| Number of Residues | 3 |
| Details | binding site for residue DMS A 1111 |
| Chain | Residue |
| A | VAL335 |
| A | ARG336 |
| A | PRO480 |
| site_id | AD3 |
| Number of Residues | 3 |
| Details | binding site for residue DMS A 1112 |
| Chain | Residue |
| A | ILE305 |
| A | PRO306 |
| A | ASN307 |
| site_id | AD4 |
| Number of Residues | 4 |
| Details | binding site for residue DMS A 1113 |
| Chain | Residue |
| A | ARG425 |
| B | LEU250 |
| B | ALA286 |
| B | ASP287 |
| site_id | AD5 |
| Number of Residues | 3 |
| Details | binding site for residue DMS A 1114 |
| Chain | Residue |
| A | ILE737 |
| A | LEU751 |
| A | GLY752 |
| site_id | AD6 |
| Number of Residues | 6 |
| Details | binding site for residue DMS A 1115 |
| Chain | Residue |
| A | LYS380 |
| A | ASN383 |
| A | PHE626 |
| A | TYR642 |
| A | TRP708 |
| A | HOH1275 |
| site_id | AD7 |
| Number of Residues | 4 |
| Details | binding site for residue DMS A 1116 |
| Chain | Residue |
| A | GLN50 |
| A | SER132 |
| A | TRP133 |
| A | HIS216 |
| site_id | AD8 |
| Number of Residues | 1 |
| Details | binding site for residue DMS A 1117 |
| Chain | Residue |
| A | ARG853 |
| site_id | AD9 |
| Number of Residues | 7 |
| Details | binding site for residue MG A 1118 |
| Chain | Residue |
| A | GLU416 |
| A | HIS418 |
| A | GLU461 |
| A | DVL1101 |
| A | HOH1203 |
| A | HOH1232 |
| A | HOH1240 |
| site_id | AE1 |
| Number of Residues | 5 |
| Details | binding site for residue MG A 1119 |
| Chain | Residue |
| A | ASP15 |
| A | ASN18 |
| A | VAL21 |
| A | GLN163 |
| A | ASP193 |
| site_id | AE2 |
| Number of Residues | 20 |
| Details | binding site for residue DVL B 1101 |
| Chain | Residue |
| B | GLU461 |
| B | TYR503 |
| B | GLN537 |
| B | HIS540 |
| B | TRP568 |
| B | TRP999 |
| B | NA1102 |
| B | MG1113 |
| B | HOH1201 |
| B | HOH1235 |
| A | GLU281 |
| A | ARG282 |
| A | HOH1222 |
| A | HOH1331 |
| B | ASN102 |
| B | ASP201 |
| B | HIS391 |
| B | GLU416 |
| B | HIS418 |
| B | ASN460 |
| site_id | AE3 |
| Number of Residues | 7 |
| Details | binding site for residue NA B 1102 |
| Chain | Residue |
| B | TYR100 |
| B | ASP201 |
| B | PHE601 |
| B | ASN604 |
| B | DVL1101 |
| B | HOH1201 |
| B | HOH1274 |
| site_id | AE4 |
| Number of Residues | 6 |
| Details | binding site for residue NA B 1103 |
| Chain | Residue |
| B | PHE556 |
| B | TYR559 |
| B | PRO560 |
| B | LEU562 |
| B | HOH1299 |
| B | HOH1316 |
| site_id | AE5 |
| Number of Residues | 5 |
| Details | binding site for residue NA B 1104 |
| Chain | Residue |
| B | PHE931 |
| B | PRO932 |
| B | LEU967 |
| B | MET968 |
| B | THR970 |
| site_id | AE6 |
| Number of Residues | 4 |
| Details | binding site for residue DMS B 1105 |
| Chain | Residue |
| B | VAL227 |
| B | THR229 |
| B | VAL330 |
| B | GLY331 |
| site_id | AE7 |
| Number of Residues | 2 |
| Details | binding site for residue DMS B 1106 |
| Chain | Residue |
| B | LYS621 |
| B | HOH1314 |
| site_id | AE8 |
| Number of Residues | 3 |
| Details | binding site for residue DMS B 1107 |
| Chain | Residue |
| B | ILE576 |
| B | PRO584 |
| B | SER586 |
| site_id | AE9 |
| Number of Residues | 2 |
| Details | binding site for residue DMS B 1108 |
| Chain | Residue |
| A | VAL478 |
| B | ASP428 |
| site_id | AF1 |
| Number of Residues | 5 |
| Details | binding site for residue DMS B 1109 |
| Chain | Residue |
| B | LEU377 |
| B | ALA707 |
| B | TRP708 |
| B | SER709 |
| B | GLU710 |
| site_id | AF2 |
| Number of Residues | 1 |
| Details | binding site for residue DMS B 1110 |
| Chain | Residue |
| B | ARG425 |
| site_id | AF3 |
| Number of Residues | 1 |
| Details | binding site for residue DMS B 1111 |
| Chain | Residue |
| B | ASN945 |
| site_id | AF4 |
| Number of Residues | 1 |
| Details | binding site for residue DMS B 1112 |
| Chain | Residue |
| B | GLU808 |
| site_id | AF5 |
| Number of Residues | 6 |
| Details | binding site for residue MG B 1113 |
| Chain | Residue |
| B | GLU416 |
| B | HIS418 |
| B | GLU461 |
| B | DVL1101 |
| B | HOH1209 |
| B | HOH1235 |
| site_id | AF6 |
| Number of Residues | 5 |
| Details | binding site for residue MG B 1114 |
| Chain | Residue |
| B | ASP15 |
| B | ASN18 |
| B | VAL21 |
| B | GLN163 |
| B | ASP193 |
| site_id | AF7 |
| Number of Residues | 21 |
| Details | binding site for residue DVL C 1101 |
| Chain | Residue |
| C | ASN102 |
| C | ASP201 |
| C | HIS391 |
| C | GLU416 |
| C | HIS418 |
| C | ASN460 |
| C | GLU461 |
| C | TYR503 |
| C | GLN537 |
| C | HIS540 |
| C | TRP568 |
| C | ASN604 |
| C | TRP999 |
| C | NA1102 |
| C | MG1110 |
| C | HOH1214 |
| C | HOH1218 |
| C | HOH1290 |
| D | GLU281 |
| D | ARG282 |
| D | HOH1308 |
| site_id | AF8 |
| Number of Residues | 6 |
| Details | binding site for residue NA C 1102 |
| Chain | Residue |
| C | ASP201 |
| C | PHE601 |
| C | ASN604 |
| C | DVL1101 |
| C | HOH1218 |
| C | HOH1249 |
| site_id | AF9 |
| Number of Residues | 4 |
| Details | binding site for residue NA C 1103 |
| Chain | Residue |
| C | PHE556 |
| C | TYR559 |
| C | LEU562 |
| C | HOH1277 |
| site_id | AG1 |
| Number of Residues | 4 |
| Details | binding site for residue NA C 1104 |
| Chain | Residue |
| C | SER647 |
| C | GLU650 |
| C | LEU670 |
| C | HOH1281 |
| site_id | AG2 |
| Number of Residues | 4 |
| Details | binding site for residue DMS C 1105 |
| Chain | Residue |
| C | ARG37 |
| C | SER132 |
| C | GLU136 |
| C | HIS216 |
| site_id | AG3 |
| Number of Residues | 1 |
| Details | binding site for residue DMS C 1106 |
| Chain | Residue |
| C | HIS93 |
| site_id | AG4 |
| Number of Residues | 5 |
| Details | binding site for residue DMS C 1107 |
| Chain | Residue |
| C | SER53 |
| C | LEU54 |
| C | ASN55 |
| C | GLU57 |
| C | LEU125 |
| site_id | AG5 |
| Number of Residues | 3 |
| Details | binding site for residue DMS C 1108 |
| Chain | Residue |
| C | THR706 |
| C | ALA707 |
| C | GLU710 |
| site_id | AG6 |
| Number of Residues | 6 |
| Details | binding site for residue DMS C 1109 |
| Chain | Residue |
| C | LYS380 |
| C | ASN383 |
| C | PHE626 |
| C | TYR642 |
| C | TRP708 |
| C | HOH1219 |
| site_id | AG7 |
| Number of Residues | 7 |
| Details | binding site for residue MG C 1110 |
| Chain | Residue |
| C | ASP201 |
| C | GLU416 |
| C | HIS418 |
| C | GLU461 |
| C | DVL1101 |
| C | HOH1214 |
| C | HOH1237 |
| site_id | AG8 |
| Number of Residues | 6 |
| Details | binding site for residue MG C 1111 |
| Chain | Residue |
| C | ASP15 |
| C | ASN18 |
| C | VAL21 |
| C | TYR161 |
| C | GLN163 |
| C | ASP193 |
| site_id | AG9 |
| Number of Residues | 21 |
| Details | binding site for residue DVL D 1101 |
| Chain | Residue |
| C | GLU281 |
| C | ARG282 |
| C | HOH1283 |
| D | ASN102 |
| D | ASP201 |
| D | HIS391 |
| D | HIS418 |
| D | ASN460 |
| D | GLU461 |
| D | TYR503 |
| D | GLN537 |
| D | HIS540 |
| D | TRP568 |
| D | ASN604 |
| D | TRP999 |
| D | NA1102 |
| D | MG1115 |
| D | HOH1202 |
| D | HOH1213 |
| D | HOH1221 |
| D | HOH1299 |
| site_id | AH1 |
| Number of Residues | 5 |
| Details | binding site for residue NA D 1102 |
| Chain | Residue |
| D | ASP201 |
| D | PHE601 |
| D | ASN604 |
| D | DVL1101 |
| D | HOH1261 |
| site_id | AH2 |
| Number of Residues | 6 |
| Details | binding site for residue NA D 1103 |
| Chain | Residue |
| D | PHE556 |
| D | TYR559 |
| D | PRO560 |
| D | LEU562 |
| D | HOH1302 |
| D | HOH1306 |
| site_id | AH3 |
| Number of Residues | 5 |
| Details | binding site for residue NA D 1104 |
| Chain | Residue |
| D | PHE931 |
| D | PRO932 |
| D | LEU967 |
| D | MET968 |
| D | THR970 |
| site_id | AH4 |
| Number of Residues | 4 |
| Details | binding site for residue DMS D 1105 |
| Chain | Residue |
| D | ASP648 |
| D | ASN649 |
| D | GLU650 |
| D | ASN704 |
| site_id | AH5 |
| Number of Residues | 3 |
| Details | binding site for residue DMS D 1106 |
| Chain | Residue |
| D | ARG52 |
| D | LEU54 |
| D | ASN55 |
| site_id | AH6 |
| Number of Residues | 3 |
| Details | binding site for residue DMS D 1107 |
| Chain | Residue |
| D | TYR105 |
| D | PRO106 |
| D | THR108 |
| site_id | AH7 |
| Number of Residues | 4 |
| Details | binding site for residue DMS D 1108 |
| Chain | Residue |
| D | GLY275 |
| D | GLU277 |
| D | VAL289 |
| D | THR290 |
| site_id | AH8 |
| Number of Residues | 2 |
| Details | binding site for residue DMS D 1109 |
| Chain | Residue |
| D | PRO306 |
| D | ASN307 |
| site_id | AH9 |
| Number of Residues | 3 |
| Details | binding site for residue DMS D 1110 |
| Chain | Residue |
| D | ASP45 |
| D | ARG46 |
| D | SER48 |
| site_id | AI1 |
| Number of Residues | 5 |
| Details | binding site for residue DMS D 1111 |
| Chain | Residue |
| D | LYS380 |
| D | PHE626 |
| D | TYR642 |
| D | TRP708 |
| D | HOH1241 |
| site_id | AI2 |
| Number of Residues | 3 |
| Details | binding site for residue DMS D 1112 |
| Chain | Residue |
| D | THR271 |
| D | LEU291 |
| D | ARG292 |
| site_id | AI3 |
| Number of Residues | 6 |
| Details | binding site for residue DMS D 1113 |
| Chain | Residue |
| D | VAL227 |
| D | THR229 |
| D | GLY331 |
| D | ARG333 |
| D | ASN449 |
| D | PRO451 |
| site_id | AI4 |
| Number of Residues | 1 |
| Details | binding site for residue GOL D 1114 |
| Chain | Residue |
| D | PHE231 |
| site_id | AI5 |
| Number of Residues | 7 |
| Details | binding site for residue MG D 1115 |
| Chain | Residue |
| D | GLU416 |
| D | HIS418 |
| D | GLU461 |
| D | DVL1101 |
| D | HOH1202 |
| D | HOH1221 |
| D | HOH1259 |
| site_id | AI6 |
| Number of Residues | 5 |
| Details | binding site for residue MG D 1116 |
| Chain | Residue |
| D | ASP15 |
| D | ASN18 |
| D | VAL21 |
| D | GLN163 |
| D | ASP193 |
Functional Information from PROSITE/UniProt
| site_id | PS00608 |
| Number of Residues | 15 |
| Details | GLYCOSYL_HYDROL_F2_2 Glycosyl hydrolases family 2 acid/base catalyst. DRNHPSVIIWSlg.NE |
| Chain | Residue | Details |
| A | ASP447-GLU461 |
| site_id | PS00719 |
| Number of Residues | 26 |
| Details | GLYCOSYL_HYDROL_F2_1 Glycosyl hydrolases family 2 signature 1. NaVRCSHYPnhplWYtlcDryGLYVV |
| Chain | Residue | Details |
| A | ASN385-VAL410 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 4 |
| Details | Active site: {"description":"Proton donor","evidences":[{"source":"PubMed","id":"6420154","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 4 |
| Details | Active site: {"description":"Nucleophile","evidences":[{"source":"PubMed","id":"1350782","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 36 |
| Details | Binding site: {} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 12 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"11045615","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI5 |
| Number of Residues | 8 |
| Details | Site: {"description":"Transition state stabilizer"} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI6 |
| Number of Residues | 4 |
| Details | Site: {"description":"Important for ensuring that an appropriate proportion of lactose is converted to allolactose"} |
| Chain | Residue | Details |
Catalytic Information from CSA
| site_id | MCSA1 |
| Number of Residues | 10 |
| Details | M-CSA 422 |
| Chain | Residue | Details |
| A | ASP201 | |
| A | ASN604 | |
| A | HIS357 | |
| A | HIS391 | |
| A | GLU416 | |
| A | HIS418 | |
| A | GLU461 | |
| A | GLN537 | |
| A | ASN597 | |
| A | PHE601 |
| site_id | MCSA2 |
| Number of Residues | 10 |
| Details | M-CSA 422 |
| Chain | Residue | Details |
| B | ASP201 | |
| B | ASN604 | |
| B | HIS357 | |
| B | HIS391 | |
| B | GLU416 | |
| B | HIS418 | |
| B | GLU461 | |
| B | GLN537 | |
| B | ASN597 | |
| B | PHE601 |
| site_id | MCSA3 |
| Number of Residues | 10 |
| Details | M-CSA 422 |
| Chain | Residue | Details |
| C | ASP201 | |
| C | ASN604 | |
| C | HIS357 | |
| C | HIS391 | |
| C | GLU416 | |
| C | HIS418 | |
| C | GLU461 | |
| C | GLN537 | |
| C | ASN597 | |
| C | PHE601 |
| site_id | MCSA4 |
| Number of Residues | 10 |
| Details | M-CSA 422 |
| Chain | Residue | Details |
| D | ASP201 | |
| D | ASN604 | |
| D | HIS357 | |
| D | HIS391 | |
| D | GLU416 | |
| D | HIS418 | |
| D | GLU461 | |
| D | GLN537 | |
| D | ASN597 | |
| D | PHE601 |
