9RGC
Recombinant Human Butyrylcholinesterase in complex with LP1488 (7-[(4-{[(3,4-dimethoxybenzyl)(methyl)amino]methyl}benzyl)oxy]-4-(hydroxymethyl)-2H-chromen-2-one)
This is a non-PDB format compatible entry.
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Cholinesterase | polymer | 529 | 59713.5 | 1 | UniProt (P06276) | Homo sapiens (human) | Acylcholine acylhydrolase,Butyrylcholine esterase,Choline esterase II,Pseudocholinesterase |
| 2 | B, F (B, F) | alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 367.3 | 2 | In PDB GlyTouCan (G86851RC) | |||
| 3 | C, D, E (C, D, E) | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 570.5 | 3 | In PDB GlyTouCan (G21290RB) | |||
| 4 | G (A) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 1 | Chemie (NAG) PubChem (24139) | |||
| 5 | H, K (A) | GLYCEROL | non-polymer | 92.1 | 2 | Chemie (GOL) PubChem (753) | |||
| 6 | I (A) | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID | non-polymer | 195.2 | 1 | Chemie (MES) PubChem (4478249) | |||
| 7 | J (A) | N-acetyl-alpha-neuraminic acid | non-polymer | 309.3 | 1 | Chemie (SIA) PubChem (444885) | |||
| 8 | L, M, N, O, P (A) | SULFATE ION | non-polymer | 96.1 | 5 | Chemie (SO4) | |||
| 9 | Q (A) | 7-[[4-[[(3,4-dimethoxyphenyl)methyl-methyl-amino]methyl]phenyl]methoxy]-4-(hydroxymethyl)chromen-2-one | non-polymer | 475.5 | 1 | Chemie (A1JF0) | |||
| 10 | R, S, T (A) | SODIUM ION | non-polymer | 23.0 | 3 | Chemie (NA) PubChem (923) | |||
| 11 | U (A) | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) PubChem (312) | |||
| 12 | V (A) | water | water | 18.0 | 160 | Chemie (HOH) |
Sequence modifications
A: 1 - 529 (UniProt: P06276)
| PDB | External Database | Details |
|---|---|---|
| Gln 17 | Asn 45 | engineered mutation |
| Gln 455 | Asn 483 | engineered mutation |
| Gln 481 | Asn 509 | engineered mutation |
| Gln 486 | Asn 514 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 59713.5 | |
| Branched | Number of molecules | 5 |
| Total formula weight | 2446.3 | |
| Non-Polymers* | Number of molecules | 15 |
| Total formula weight | 1970.2 | |
| All* | Total formula weight | 64130.0 |
