3DYP
E. coli (lacZ) beta-galactosidase (H418N)
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 | 6 |
| Details | BINDING SITE FOR RESIDUE MG A3001 |
| Chain | Residue |
| A | GLU416 |
| A | ASN418 |
| A | GLU461 |
| A | HOH4014 |
| A | HOH4077 |
| A | HOH4154 |
| site_id | AC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MG A3002 |
| Chain | Residue |
| A | GLN163 |
| A | ASP193 |
| A | ASP15 |
| A | ASN18 |
| A | VAL21 |
| site_id | AC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE MG A3005 |
| Chain | Residue |
| A | HOH4647 |
| A | HOH4846 |
| A | HOH4930 |
| A | DMS8406 |
| D | HOH4981 |
| D | DMS8703 |
| site_id | AC4 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE NA A3101 |
| Chain | Residue |
| A | TYR100 |
| A | ASP201 |
| A | PHE601 |
| A | ASN604 |
| A | HOH4168 |
| A | HOH4274 |
| site_id | AC5 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE NA A3102 |
| Chain | Residue |
| A | PHE556 |
| A | TYR559 |
| A | PRO560 |
| A | LEU562 |
| A | HOH4403 |
| A | HOH4627 |
| site_id | AC6 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE NA A3103 |
| Chain | Residue |
| A | PHE931 |
| A | PRO932 |
| A | LEU967 |
| A | THR970 |
| A | HOH4204 |
| A | HOH4725 |
| site_id | AC7 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE NA A3104 |
| Chain | Residue |
| A | SER647 |
| A | GLU650 |
| A | LEU670 |
| A | HOH4739 |
| A | HOH4907 |
| A | DMS8425 |
| site_id | AC8 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MG A3105 |
| Chain | Residue |
| A | ASN597 |
| A | HOH4446 |
| A | HOH4490 |
| A | HOH4606 |
| A | HOH5019 |
| site_id | AC9 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE MG A3106 |
| Chain | Residue |
| A | HOH4999 |
| D | HOH4680 |
| D | HOH4859 |
| D | HOH4866 |
| D | HOH4867 |
| D | HOH4956 |
| site_id | BC1 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE MG B3001 |
| Chain | Residue |
| B | GLU416 |
| B | ASN418 |
| B | GLU461 |
| B | HOH4028 |
| B | HOH4092 |
| B | HOH4167 |
| site_id | BC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MG B3002 |
| Chain | Residue |
| B | ASP15 |
| B | ASN18 |
| B | VAL21 |
| B | GLN163 |
| B | ASP193 |
| site_id | BC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE NA B3101 |
| Chain | Residue |
| B | TYR100 |
| B | ASP201 |
| B | PHE601 |
| B | ASN604 |
| B | HOH4181 |
| B | HOH4286 |
| site_id | BC4 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE NA B3102 |
| Chain | Residue |
| B | PHE556 |
| B | TYR559 |
| B | PRO560 |
| B | LEU562 |
| B | HOH4412 |
| B | HOH4636 |
| site_id | BC5 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE NA B3103 |
| Chain | Residue |
| B | PHE931 |
| B | PRO932 |
| B | LEU967 |
| B | THR970 |
| B | HOH4216 |
| B | HOH4735 |
| site_id | BC6 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE NA B3104 |
| Chain | Residue |
| B | SER647 |
| B | GLU650 |
| B | LEU670 |
| B | HOH4752 |
| B | HOH4911 |
| B | DMS8425 |
| site_id | BC7 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE MG B3105 |
| Chain | Residue |
| B | ASN597 |
| B | HOH4233 |
| B | HOH4452 |
| B | HOH4613 |
| site_id | BC8 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE MG C3001 |
| Chain | Residue |
| C | GLU416 |
| C | ASN418 |
| C | GLU461 |
| C | HOH4036 |
| C | HOH4100 |
| C | HOH4175 |
| site_id | BC9 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MG C3002 |
| Chain | Residue |
| C | VAL21 |
| C | GLN163 |
| C | ASP193 |
| C | ASP15 |
| C | ASN18 |
| site_id | CC1 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE MG C3004 |
| Chain | Residue |
| B | HOH4955 |
| B | HOH5013 |
| B | HOH5077 |
| C | HOH4942 |
| site_id | CC2 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE MG C3006 |
| Chain | Residue |
| A | HOH4997 |
| A | HOH4998 |
| B | HOH5015 |
| C | HOH4905 |
| C | HOH4944 |
| C | HOH4973 |
| site_id | CC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE NA C3101 |
| Chain | Residue |
| C | TYR100 |
| C | ASP201 |
| C | PHE601 |
| C | ASN604 |
| C | HOH4189 |
| C | HOH4295 |
| site_id | CC4 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE NA C3102 |
| Chain | Residue |
| C | PHE556 |
| C | TYR559 |
| C | PRO560 |
| C | LEU562 |
| C | HOH4423 |
| C | HOH4650 |
| site_id | CC5 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE NA C3103 |
| Chain | Residue |
| C | PHE931 |
| C | PRO932 |
| C | LEU967 |
| C | THR970 |
| C | HOH4225 |
| C | HOH4748 |
| site_id | CC6 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE NA C3104 |
| Chain | Residue |
| C | SER647 |
| C | GLU650 |
| C | LEU670 |
| C | HOH4763 |
| C | DMS8425 |
| site_id | CC7 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MG C3105 |
| Chain | Residue |
| C | ASN597 |
| C | HOH4242 |
| C | HOH4466 |
| C | HOH4511 |
| C | HOH4627 |
| site_id | CC8 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE MG D3001 |
| Chain | Residue |
| D | GLU416 |
| D | ASN418 |
| D | GLU461 |
| D | HOH4048 |
| D | HOH4112 |
| D | HOH4188 |
| site_id | CC9 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MG D3002 |
| Chain | Residue |
| D | ASP15 |
| D | ASN18 |
| D | VAL21 |
| D | GLN163 |
| D | ASP193 |
| site_id | DC1 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE NA D3101 |
| Chain | Residue |
| D | TYR100 |
| D | ASP201 |
| D | PHE601 |
| D | ASN604 |
| D | HOH4202 |
| D | HOH4308 |
| site_id | DC2 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE NA D3102 |
| Chain | Residue |
| D | PHE556 |
| D | TYR559 |
| D | PRO560 |
| D | LEU562 |
| D | HOH4437 |
| D | HOH4660 |
| site_id | DC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE NA D3103 |
| Chain | Residue |
| D | PHE931 |
| D | PRO932 |
| D | LEU967 |
| D | THR970 |
| D | HOH4237 |
| D | HOH4761 |
| site_id | DC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE NA D3104 |
| Chain | Residue |
| D | SER647 |
| D | ASN649 |
| D | GLU650 |
| D | LEU670 |
| D | HOH5065 |
| site_id | DC5 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE MG D3105 |
| Chain | Residue |
| D | ASN597 |
| D | GLU797 |
| D | HOH4479 |
| D | HOH4524 |
| site_id | DC6 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE DMS A8401 |
| Chain | Residue |
| A | THR229 |
| A | VAL330 |
| A | GLY331 |
| A | ASN449 |
| A | PRO451 |
| A | HOH4011 |
| site_id | DC7 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE DMS A8402 |
| Chain | Residue |
| A | ARG557 |
| A | HIS622 |
| A | GLN623 |
| A | GLN625 |
| A | GLN628 |
| A | HOH4202 |
| site_id | DC8 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE DMS A8403 |
| Chain | Residue |
| A | LYS380 |
| A | ASN383 |
| A | PHE626 |
| A | TYR642 |
| A | TRP708 |
| A | HOH4211 |
| site_id | DC9 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE DMS A8404 |
| Chain | Residue |
| A | PRO32 |
| A | PHE33 |
| A | TRP36 |
| A | ALA327 |
| A | HOH4416 |
| A | HOH4636 |
| site_id | EC1 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE DMS A8405 |
| Chain | Residue |
| A | THR271 |
| A | LEU291 |
| A | ARG292 |
| A | HOH4692 |
| site_id | EC2 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE DMS A8406 |
| Chain | Residue |
| A | GLU314 |
| A | HIS316 |
| A | GLY320 |
| A | LEU322 |
| A | MG3005 |
| A | HOH4846 |
| D | DMS8703 |
| site_id | EC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE DMS A8407 |
| Chain | Residue |
| A | GLU508 |
| A | PRO1001 |
| A | VAL1003 |
| A | HOH4037 |
| A | HOH4488 |
| site_id | EC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE DMS A8408 |
| Chain | Residue |
| A | LEU54 |
| A | ASN55 |
| A | PHE127 |
| A | HOH4714 |
| A | HOH4726 |
| site_id | EC5 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE DMS A8409 |
| Chain | Residue |
| A | GLU334 |
| A | VAL335 |
| A | PRO480 |
| A | HOH4206 |
| A | HOH4209 |
| A | HOH4340 |
| A | HOH4514 |
| site_id | EC6 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE DMS A8410 |
| Chain | Residue |
| A | PRO106 |
| A | PRO115 |
| A | TRP191 |
| A | HOH4365 |
| site_id | EC7 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE DMS A8411 |
| Chain | Residue |
| A | ILE576 |
| A | PRO584 |
| A | SER586 |
| A | ARG973 |
| A | HOH4101 |
| site_id | EC8 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE DMS A8412 |
| Chain | Residue |
| A | GLY276 |
| A | GLU277 |
| A | VAL289 |
| A | THR290 |
| A | ARG292 |
| A | HOH4596 |
| site_id | EC9 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE DMS A8413 |
| Chain | Residue |
| A | GLY593 |
| A | ASP594 |
| A | THR595 |
| A | HOH4347 |
| site_id | FC1 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE DMS A8414 |
| Chain | Residue |
| A | VAL84 |
| A | VAL85 |
| A | HIS93 |
| site_id | FC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE DMS A8416 |
| Chain | Residue |
| A | ARG251 |
| A | ASP252 |
| A | HOH4672 |
| D | ARG251 |
| site_id | FC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE DMS A8419 |
| Chain | Residue |
| A | PRO106 |
| A | ILE107 |
| A | THR108 |
| A | PRO596 |
| A | HOH4336 |
| A | HOH4472 |
| site_id | FC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE DMS A8420 |
| Chain | Residue |
| A | ASP428 |
| A | PRO430 |
| D | VAL478 |
| D | HOH4545 |
| D | HOH4823 |
| site_id | FC5 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE DMS A8421 |
| Chain | Residue |
| A | HIS93 |
| A | GLY94 |
| A | TYR95 |
| A | HOH4524 |
| site_id | FC6 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE DMS A8423 |
| Chain | Residue |
| A | TYR926 |
| A | TYR962 |
| A | ARG973 |
| A | LEU976 |
| site_id | FC7 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE DMS A8425 |
| Chain | Residue |
| A | SER647 |
| A | ASP648 |
| A | ASN649 |
| A | GLU650 |
| A | ASN704 |
| A | NA3104 |
| C | LYS1023 |
| site_id | FC8 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE DMS A8427 |
| Chain | Residue |
| A | GLN718 |
| A | GLN719 |
| A | TRP720 |
| A | ARG721 |
| A | HOH4210 |
| A | HOH4280 |
| A | HOH5025 |
| site_id | FC9 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE DMS A8501 |
| Chain | Residue |
| A | ASP45 |
| A | ARG46 |
| A | PRO47 |
| A | HOH4501 |
| A | HOH4778 |
| site_id | GC1 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE DMS A8502 |
| Chain | Residue |
| A | GLU57 |
| A | TRP58 |
| A | ARG59 |
| A | LEU125 |
| A | THR126 |
| A | HOH4527 |
| A | HOH4760 |
| B | GLU819 |
| site_id | GC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE DMS A8503 |
| Chain | Residue |
| A | PHE629 |
| A | GLN718 |
| A | TRP720 |
| A | HOH4234 |
| A | HOH4426 |
| site_id | GC3 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE DMS A8504 |
| Chain | Residue |
| A | SER132 |
| A | GLU136 |
| A | HIS216 |
| site_id | GC4 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE DMS A8602 |
| Chain | Residue |
| A | GLN266 |
| A | VAL267 |
| A | ALA268 |
| A | SER269 |
| site_id | GC5 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE DMS B8401 |
| Chain | Residue |
| B | THR229 |
| B | VAL330 |
| B | GLY331 |
| B | ASN449 |
| B | PRO451 |
| B | ARG482 |
| B | HOH4025 |
| site_id | GC6 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE DMS B8402 |
| Chain | Residue |
| B | ARG557 |
| B | HIS622 |
| B | GLN625 |
| B | GLN628 |
| B | HOH4214 |
| site_id | GC7 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE DMS B8403 |
| Chain | Residue |
| B | LYS380 |
| B | ASN383 |
| B | PHE626 |
| B | TYR642 |
| B | TRP708 |
| B | HOH4223 |
| site_id | GC8 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE DMS B8404 |
| Chain | Residue |
| B | PRO32 |
| B | PHE33 |
| B | ALA34 |
| B | TRP36 |
| B | ASP45 |
| B | ALA327 |
| B | HOH4423 |
| B | HOH4645 |
| site_id | GC9 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE DMS B8405 |
| Chain | Residue |
| B | THR271 |
| B | LEU291 |
| B | ARG292 |
| B | HOH4701 |
| site_id | HC1 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE DMS B8406 |
| Chain | Residue |
| B | GLU314 |
| B | HIS316 |
| B | GLY320 |
| B | THR321 |
| site_id | HC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE DMS B8407 |
| Chain | Residue |
| B | GLU508 |
| B | PRO1001 |
| B | HOH4051 |
| B | HOH4254 |
| site_id | HC3 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE DMS B8408 |
| Chain | Residue |
| B | LEU54 |
| B | ASN55 |
| B | GLY56 |
| B | GLU57 |
| site_id | HC4 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE DMS B8409 |
| Chain | Residue |
| B | GLU334 |
| B | VAL335 |
| B | PRO480 |
| B | HOH4221 |
| site_id | HC5 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE DMS B8410 |
| Chain | Residue |
| B | PRO106 |
| B | PRO115 |
| B | TRP191 |
| B | HOH4274 |
| B | HOH4377 |
| site_id | HC6 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE DMS B8411 |
| Chain | Residue |
| B | SER586 |
| B | ARG973 |
| B | HOH4116 |
| site_id | HC7 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE DMS B8412 |
| Chain | Residue |
| B | GLY275 |
| B | VAL289 |
| B | THR290 |
| B | ARG292 |
| B | HOH4886 |
| site_id | HC8 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE DMS B8413 |
| Chain | Residue |
| B | GLY593 |
| B | ASP594 |
| B | THR595 |
| B | HOH4359 |
| B | HOH4754 |
| site_id | HC9 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE DMS B8414 |
| Chain | Residue |
| B | VAL84 |
| B | VAL85 |
| B | HIS93 |
| site_id | IC1 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE DMS B8415 |
| Chain | Residue |
| B | LYS621 |
| B | ARG699 |
| B | HOH4345 |
| site_id | IC2 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE DMS B8416 |
| Chain | Residue |
| B | ARG251 |
| B | ASP252 |
| site_id | IC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE DMS B8417 |
| Chain | Residue |
| B | PHE231 |
| B | ASN232 |
| B | PHE235 |
| B | GLU334 |
| B | HOH4630 |
| B | HOH5048 |
| site_id | IC4 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE DMS B8420 |
| Chain | Residue |
| B | ASP428 |
| B | HOH4489 |
| site_id | IC5 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE DMS B8421 |
| Chain | Residue |
| B | HIS93 |
| B | HOH4634 |
| site_id | IC6 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE DMS B8423 |
| Chain | Residue |
| B | TYR926 |
| B | TYR962 |
| B | ARG973 |
| site_id | IC7 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE DMS B8425 |
| Chain | Residue |
| B | SER647 |
| B | ASP648 |
| B | ASN649 |
| B | GLU650 |
| B | PRO703 |
| B | ASN704 |
| B | NA3104 |
| site_id | IC8 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE DMS B8427 |
| Chain | Residue |
| B | ARG721 |
| B | HOH4222 |
| B | HOH4292 |
| site_id | IC9 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE DMS B8502 |
| Chain | Residue |
| B | GLU57 |
| B | TRP58 |
| B | LEU125 |
| B | THR126 |
| B | HOH4534 |
| site_id | JC1 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE DMS B8504 |
| Chain | Residue |
| B | ARG37 |
| B | TRP133 |
| B | HIS216 |
| C | HOH4988 |
| site_id | JC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE DMS B8506 |
| Chain | Residue |
| B | ASN102 |
| B | ASP598 |
| B | PHE601 |
| B | HOH5049 |
| site_id | JC3 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE DMS B8508 |
| Chain | Residue |
| B | SER923 |
| B | ARG961 |
| B | TYR962 |
| B | HOH4125 |
| site_id | JC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE DMS B8601 |
| Chain | Residue |
| B | VAL267 |
| B | ASN294 |
| B | VAL295 |
| B | GLU296 |
| B | HOH4577 |
| site_id | JC5 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE DMS C8401 |
| Chain | Residue |
| C | THR229 |
| C | VAL330 |
| C | GLY331 |
| C | ASN449 |
| C | PRO451 |
| C | ARG482 |
| C | HOH4033 |
| site_id | JC6 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE DMS C8402 |
| Chain | Residue |
| C | ARG557 |
| C | HIS622 |
| C | GLN628 |
| C | HOH4223 |
| site_id | JC7 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE DMS C8403 |
| Chain | Residue |
| C | LYS380 |
| C | ASN383 |
| C | PHE626 |
| C | TYR642 |
| C | TRP708 |
| C | HOH4232 |
| site_id | JC8 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE DMS C8404 |
| Chain | Residue |
| C | PRO32 |
| C | PHE33 |
| C | TRP36 |
| C | ASP45 |
| C | ALA327 |
| C | HOH4435 |
| C | HOH4448 |
| C | HOH4661 |
| site_id | JC9 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE DMS C8405 |
| Chain | Residue |
| C | THR271 |
| C | LEU291 |
| C | ARG292 |
| C | HOH4711 |
| site_id | KC1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE DMS C8407 |
| Chain | Residue |
| C | GLU508 |
| C | PRO1001 |
| C | VAL1003 |
| C | HOH4059 |
| C | HOH4509 |
| site_id | KC2 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE DMS C8408 |
| Chain | Residue |
| C | LEU54 |
| C | ASN55 |
| C | HOH4749 |
| site_id | KC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE DMS C8409 |
| Chain | Residue |
| C | GLU334 |
| C | VAL335 |
| C | PRO480 |
| C | HOH4227 |
| C | HOH4230 |
| C | HOH4363 |
| site_id | KC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE DMS C8410 |
| Chain | Residue |
| C | PRO106 |
| C | PRO115 |
| C | TRP191 |
| C | HOH4370 |
| C | HOH4387 |
| site_id | KC5 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE DMS C8411 |
| Chain | Residue |
| C | ILE576 |
| C | PRO584 |
| C | SER586 |
| C | ARG973 |
| C | HOH4124 |
| site_id | KC6 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE DMS C8412 |
| Chain | Residue |
| C | GLY275 |
| C | VAL289 |
| C | THR290 |
| C | ARG292 |
| C | HOH4892 |
| site_id | KC7 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE DMS C8413 |
| Chain | Residue |
| C | GLY593 |
| C | ASP594 |
| C | THR595 |
| C | HOH4370 |
| C | HOH4765 |
| site_id | KC8 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE DMS C8414 |
| Chain | Residue |
| C | VAL84 |
| C | VAL85 |
| C | HIS93 |
| site_id | KC9 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE DMS C8415 |
| Chain | Residue |
| C | LYS621 |
| C | TRP717 |
| C | HOH4356 |
| site_id | LC1 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE DMS C8416 |
| Chain | Residue |
| C | LEU250 |
| C | ARG251 |
| C | ASP252 |
| site_id | LC2 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE DMS C8417 |
| Chain | Residue |
| C | PHE231 |
| C | ASN232 |
| C | ASP233 |
| C | PHE235 |
| C | GLU334 |
| C | ARG336 |
| C | HOH4644 |
| site_id | LC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE DMS C8419 |
| Chain | Residue |
| C | PRO106 |
| C | ILE107 |
| C | THR108 |
| C | PRO596 |
| C | HOH4359 |
| C | HOH4492 |
| site_id | LC4 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE DMS C8420 |
| Chain | Residue |
| B | HOH4805 |
| C | ASP428 |
| C | PRO430 |
| C | HOH4502 |
| site_id | LC5 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE DMS C8421 |
| Chain | Residue |
| C | HIS93 |
| C | GLY94 |
| site_id | LC6 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE DMS C8423 |
| Chain | Residue |
| C | TYR926 |
| C | TYR962 |
| C | ARG973 |
| C | HIS974 |
| site_id | LC7 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE DMS C8425 |
| Chain | Residue |
| C | SER647 |
| C | ASP648 |
| C | ASN649 |
| C | GLU650 |
| C | PRO703 |
| C | ASN704 |
| C | NA3104 |
| site_id | LC8 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE DMS C8427 |
| Chain | Residue |
| C | GLN719 |
| C | ARG721 |
| C | HOH4231 |
| C | HOH4301 |
| C | HOH4462 |
| C | HOH4558 |
| site_id | LC9 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE DMS C8501 |
| Chain | Residue |
| C | ASP45 |
| C | ARG46 |
| C | PRO47 |
| C | HOH4522 |
| C | HOH4807 |
| site_id | MC1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE DMS C8503 |
| Chain | Residue |
| C | PHE629 |
| C | ARG630 |
| C | GLN718 |
| C | TRP720 |
| C | HOH4255 |
| site_id | MC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE DMS C8504 |
| Chain | Residue |
| C | ARG37 |
| C | SER132 |
| C | TRP133 |
| C | HIS216 |
| site_id | MC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE DMS C8506 |
| Chain | Residue |
| C | ASN102 |
| C | ASP598 |
| C | PHE601 |
| C | HOH4666 |
| C | HOH4899 |
| site_id | MC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE DMS C8601 |
| Chain | Residue |
| C | VAL267 |
| C | ASN294 |
| C | VAL295 |
| C | GLU296 |
| C | HOH4589 |
| site_id | MC5 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE DMS C8602 |
| Chain | Residue |
| C | GLN266 |
| C | VAL267 |
| C | ALA268 |
| D | LEU740 |
| D | THR742 |
| site_id | MC6 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE DMS D8401 |
| Chain | Residue |
| D | THR229 |
| D | VAL330 |
| D | GLY331 |
| D | ASN449 |
| D | HOH4045 |
| site_id | MC7 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE DMS D8402 |
| Chain | Residue |
| D | ARG557 |
| D | HIS622 |
| D | GLN623 |
| D | GLN625 |
| D | GLN628 |
| D | HOH4235 |
| site_id | MC8 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE DMS D8403 |
| Chain | Residue |
| D | LYS380 |
| D | ASN383 |
| D | PHE626 |
| D | TYR642 |
| D | TRP708 |
| D | HOH4244 |
| D | HOH4331 |
| site_id | MC9 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE DMS D8404 |
| Chain | Residue |
| D | PRO32 |
| D | PHE33 |
| D | ALA34 |
| D | TRP36 |
| D | ALA327 |
| D | HOH4462 |
| site_id | NC1 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE DMS D8405 |
| Chain | Residue |
| D | THR271 |
| D | LEU291 |
| D | ARG292 |
| D | HOH4725 |
| site_id | NC2 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE DMS D8406 |
| Chain | Residue |
| A | GLU136 |
| D | GLU314 |
| D | HIS316 |
| D | GLY320 |
| D | HOH4991 |
| D | DMS8701 |
| site_id | NC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE DMS D8407 |
| Chain | Residue |
| D | ARG505 |
| D | GLU508 |
| D | PRO1001 |
| D | VAL1003 |
| D | HOH4071 |
| D | HOH4522 |
| site_id | NC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE DMS D8408 |
| Chain | Residue |
| D | LEU54 |
| D | ASN55 |
| D | GLY56 |
| D | GLU57 |
| D | HOH4762 |
| site_id | NC5 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE DMS D8409 |
| Chain | Residue |
| D | GLU334 |
| D | VAL335 |
| D | PRO480 |
| D | HOH4239 |
| D | HOH4242 |
| D | HOH4546 |
| D | HOH4654 |
| site_id | NC6 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE DMS D8410 |
| Chain | Residue |
| D | PRO106 |
| D | PRO115 |
| D | TRP191 |
| D | HOH4399 |
| site_id | NC7 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE DMS D8411 |
| Chain | Residue |
| D | ILE576 |
| D | PRO584 |
| D | TRP585 |
| D | SER586 |
| D | ARG973 |
| D | HOH4136 |
| site_id | NC8 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE DMS D8412 |
| Chain | Residue |
| D | GLY275 |
| D | GLY276 |
| D | THR290 |
| D | ARG292 |
| D | HOH5069 |
| site_id | NC9 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE DMS D8413 |
| Chain | Residue |
| D | GLY593 |
| D | ASP594 |
| D | THR595 |
| D | HOH4381 |
| D | HOH4774 |
| site_id | OC1 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE DMS D8414 |
| Chain | Residue |
| D | VAL84 |
| D | VAL85 |
| D | HIS93 |
| D | HOH5048 |
| site_id | OC2 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE DMS D8416 |
| Chain | Residue |
| D | LEU250 |
| D | ARG251 |
| D | ASP252 |
| site_id | OC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE DMS D8419 |
| Chain | Residue |
| D | TYR105 |
| D | PRO106 |
| D | ILE107 |
| D | HOH4505 |
| D | HOH4802 |
| site_id | OC4 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE DMS D8421 |
| Chain | Residue |
| D | HIS93 |
| D | GLY94 |
| D | TYR95 |
| D | HOH4658 |
| site_id | OC5 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE DMS D8423 |
| Chain | Residue |
| D | TYR926 |
| D | TYR962 |
| D | ARG973 |
| D | LEU976 |
| D | HOH4591 |
| site_id | OC6 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE DMS D8427 |
| Chain | Residue |
| D | TRP695 |
| D | GLN719 |
| D | TRP720 |
| D | ARG721 |
| D | HOH4243 |
| D | HOH4314 |
| D | HOH4411 |
| site_id | OC7 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE DMS D8501 |
| Chain | Residue |
| D | ASP45 |
| D | PRO47 |
| D | HOH4535 |
| site_id | OC8 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE DMS D8503 |
| Chain | Residue |
| D | PHE629 |
| D | ARG630 |
| D | GLN718 |
| D | TRP720 |
| D | HOH4268 |
| D | HOH4459 |
| site_id | OC9 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE DMS D8506 |
| Chain | Residue |
| D | ASN102 |
| D | ASP598 |
| D | PHE601 |
| D | VAL795 |
| D | HOH4675 |
| site_id | PC1 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE DMS D8508 |
| Chain | Residue |
| D | SER923 |
| D | TYR926 |
| D | TYR962 |
| D | HOH4145 |
| site_id | PC2 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE DMS D8701 |
| Chain | Residue |
| A | GLU136 |
| A | PRO218 |
| A | ILE323 |
| A | HOH4786 |
| A | HOH4789 |
| D | GLY320 |
| D | LEU322 |
| D | DMS8406 |
| site_id | PC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE DMS D8703 |
| Chain | Residue |
| A | MG3005 |
| A | DMS8406 |
| D | GLN49 |
| D | GLN50 |
| D | ASP130 |
| D | TRP133 |
| site_id | PC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE DMS D8705 |
| Chain | Residue |
| D | TRP133 |
| D | LEU134 |
| D | GLN135 |
| D | GLU136 |
| D | SER174 |
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 | CSA1 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1bgl |
| Chain | Residue | Details |
| A | GLU461 | |
| A | GLU537 |
| site_id | CSA2 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1bgl |
| Chain | Residue | Details |
| B | GLU461 | |
| B | GLU537 |
| site_id | CSA3 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1bgl |
| Chain | Residue | Details |
| C | GLU461 | |
| C | GLU537 |
| site_id | CSA4 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1bgl |
| Chain | Residue | Details |
| D | GLU461 | |
| D | GLU537 |
| site_id | CSA5 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1bgl |
| Chain | Residue | Details |
| A | TYR503 | |
| A | GLU461 | |
| A | GLU537 |
| site_id | CSA6 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1bgl |
| Chain | Residue | Details |
| B | TYR503 | |
| B | GLU461 | |
| B | GLU537 |
| site_id | CSA7 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1bgl |
| Chain | Residue | Details |
| C | TYR503 | |
| C | GLU461 | |
| C | GLU537 |
| site_id | CSA8 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1bgl |
| Chain | Residue | Details |
| D | TYR503 | |
| D | GLU461 | |
| D | GLU537 |
| 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 | ASN418 | |
| A | GLU461 | |
| A | GLU537 | |
| 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 | ASN418 | |
| B | GLU461 | |
| B | GLU537 | |
| 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 | ASN418 | |
| C | GLU461 | |
| C | GLU537 | |
| 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 | ASN418 | |
| D | GLU461 | |
| D | GLU537 | |
| D | ASN597 | |
| D | PHE601 |
