6TT3
Crystal structure of 'Res_S2 mutant human Angiotensin-1 converting enzyme N-domain in complex with SG6.
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | Angiotensin-converting enzyme | polymer | 629 | 72544.5 | 2 | UniProt (P12821) Pfam (PF01401) | Homo sapiens (Human) | ACE,Dipeptidyl carboxypeptidase I,Kininase II |
| 2 | C, F (C, F) | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 424.4 | 2 | In PDB GlyTouCan (G42666HT) | |||
| 3 | D (D) | beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 732.7 | 1 | In PDB GlyTouCan (G32152BH) | |||
| 4 | E, G (E, G) | alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 367.3 | 2 | In PDB GlyTouCan (G86851RC) | |||
| 5 | H, I, J, Y, Z (A, B) | BORIC ACID | non-polymer | 61.8 | 5 | Chemie (BO3) | |||
| 6 | AA, K (B, A) | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
| 7 | BA, L (B, A) | CHLORIDE ION | non-polymer | 35.5 | 2 | Chemie (CL) | |||
| 8 | CA, M (B, A) | (2~{S})-1-[(2~{S})-2-[[(1~{S})-1-[(2~{S})-1-[(2~{S})-2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]pyrrolidin-2-yl]-2-oxidanyl-2-oxidanylidene-ethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid | non-polymer | 428.4 | 2 | Chemie (BJ2) | |||
| 9 | DA, N (B, A) | TRIETHYLENE GLYCOL | non-polymer | 150.2 | 2 | Chemie (PGE) | |||
| 10 | EA, O (B, A) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 2 | Chemie (PEG) | |||
| 11 | P (A) | TETRAETHYLENE GLYCOL | non-polymer | 194.2 | 1 | Chemie (PG4) | |||
| 12 | FA, GA, HA, Q, R... (B, A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 7 | Chemie (EDO) | |||
| 13 | IA, U, V (B, A) | BICINE | non-polymer | 163.2 | 3 | Chemie (BCN) | |||
| 14 | JA, W (B, A) | CALCIUM ION | non-polymer | 40.1 | 2 | Chemie (CA) | |||
| 15 | X (B) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 1 | Chemie (NAG) | |||
| 16 | KA, LA (A, B) | water | water | 18.0 | 877 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 628 (UniProt: P12821)
| PDB | External Database | Details |
|---|---|---|
| Gln 9 | Asn 38 | conflict |
| Gln 25 | Asn 54 | conflict |
| Gln 82 | Asn 111 | conflict |
| Gln 117 | Asn 146 | conflict |
| Gln 131 | Asn 160 | conflict |
| Thr 260 | Ser 289 | conflict |
| Ser 262 | Glu 291 | conflict |
| Gln 289 | Asn 318 | conflict |
| Glu 354 | Asp 383 | conflict |
| Val 357 | Ser 386 | conflict |
| Val 358 | Thr 387 | conflict |
| Phe 369 | Tyr 398 | conflict |
| Glu 381 | Arg 410 | conflict |
| Asp 431 | Glu 460 | conflict |
| Arg 545 | Gln 574 | conflict |
| Leu 576 | Pro 605 | conflict |
| Leu 629 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 145089.0 | |
| Branched | Number of molecules | 5 |
| Total formula weight | 2316.2 | |
| Non-Polymers* | Number of molecules | 29 |
| Total formula weight | 3299.9 | |
| All* | Total formula weight | 150705.1 |
