8BRN
Crystal structure of red kidney bean purple acid phosphatase in complex with an alpha-aminonaphthylmethylphosphonic acid inhibitor
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C, D (A, B, C, D) | Fe(3+)-Zn(2+) purple acid phosphatase | polymer | 428 | 49770.6 | 4 | UniProt (P80366) Pfam (PF16656) Pfam (PF00149) Pfam (PF14008) | Phaseolus vulgaris | PAP,Iron(III)-zinc(II) purple acid phosphatase |
| 2 | E, K, Q (E, K, Q) | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 424.4 | 3 | In PDB GlyTouCan (G42666HT) | |||
| 3 | F (F) | alpha-D-mannopyranose-(1-2)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 1057.0 | 1 | In PDB | |||
| 4 | G, I, N, P, S... (G, I, N, P, S...) | beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 732.7 | 6 | In PDB GlyTouCan (G18638YB) | |||
| 5 | H, J (H, J) | alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 1057.0 | 2 | In PDB GlyTouCan (G43648DB) | |||
| 6 | L (L) | alpha-D-mannopyranose-(1-2)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 894.8 | 1 | In PDB GlyTouCan (G17538MY) | |||
| 7 | M (M) | beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 586.5 | 1 | In PDB GlyTouCan (G15407YE) | |||
| 8 | O (O) | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 424.4 | 1 | In PDB GlyTouCan (G79924RM) | |||
| 9 | R (R) | beta-D-mannopyranose-(5-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 732.7 | 1 | ||||
| 10 | T (T) | alpha-L-fucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 367.3 | 1 | In PDB GlyTouCan (G80587NA) | |||
| 11 | BB, LC, ND, V (B, C, D, A) | ZINC ION | non-polymer | 65.4 | 4 | Chemie (ZN) | |||
| 12 | CB, MC, OD, W (B, C, D, A) | FE (III) ION | non-polymer | 55.8 | 4 | Chemie (FE) | |||
| 13 | DB, FB, GB, GC, GD... (B, C, D, A) | CITRATE ANION | non-polymer | 189.1 | 13 | Chemie (FLC) | |||
| 14 | BA, EB, IB, JC, QD... (A, B, C, D) | TRIETHYLENE GLYCOL | non-polymer | 150.2 | 6 | Chemie (PGE) | |||
| 15 | AA, CE, KC, SD, VC (A, D, C) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 5 | Chemie (NAG) | |||
| 16 | AE, BE, CA, DA, EA... (D, A, B, C) | SULFATE ION | non-polymer | 96.1 | 32 | Chemie (SO4) | |||
| 17 | DE, IA, SB, WC (D, A, B, C) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 4 | Chemie (EDO) | |||
| 18 | AC, AD, BC, BD, CC... (B, C, D, A) | GLYCEROL | non-polymer | 92.1 | 50 | Chemie (GOL) | |||
| 19 | DC, FD, QE, RE, WA... (B, C, D, A) | CHLORIDE ION | non-polymer | 35.5 | 6 | Chemie (CL) | |||
| 20 | AB, FC, LD, MD, VE (A, B, C, D) | [(R)-(decanoylamino)-naphthalen-1-yl-methyl]phosphonic acid | non-polymer | 391.4 | 5 | Chemie (R9X) | |||
| 21 | EC (B) | SODIUM ION | non-polymer | 23.0 | 1 | Chemie (NA) | |||
| 22 | RD (D) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 1 | Chemie (DMS) | |||
| 23 | WE, XE, YE, ZE (A, B, C, D) | water | water | 18.0 | 2663 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 199082.4 | |
| Branched | Number of molecules | 17 |
| Total formula weight | 11846.0 | |
| Non-Polymers* | Number of molecules | 131 |
| Total formula weight | 15148.4 | |
| All* | Total formula weight | 226076.8 |
