2R9K
Crystal Structure of Misteltoe Lectin I in Complex with Phloretamide
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A | Beta-galactoside-specific lectin 1 | polymer | 254 | 27820.1 | 1 | Pfam (PF00161) UniProt (by SIFTS) (P81446) In PDB | Viscum album (European mistletoe) | |
| 2 | B | Beta-galactoside-specific lectin 1 chain B | polymer | 263 | 28568.9 | 1 | UniProt (P81446) Pfam (PF00652) In PDB | Viscum album (European mistletoe) | Beta-galactoside-specific lectin I chain B,ML-I B,MLB |
| 3 | C | 2-acetamido-2-deoxy-beta-D-glucopyranose-(4-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 424.4 | 1 | ||||
| 4 | A, B | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 4 | Chemie (NAG) | |||
| 5 | A, B | SULFATE ION | non-polymer | 96.1 | 4 | Chemie (SO4) | |||
| 6 | A, B | GLYCEROL | non-polymer | 92.1 | 4 | Chemie (GOL) | |||
| 7 | A | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
| 8 | A | 3-(4-hydroxyphenyl)propanamide | non-polymer | 165.2 | 1 | Chemie (SGI) | |||
| 9 | water | water | 18.0 | 72 | Chemie (HOH) |
Sequence modifications
B: 248 - 510 (UniProt: P81446)
| PDB | External Database | Details |
|---|---|---|
| Ala 249 | Asp 303 | conflict |
| Thr 253 | Ser 307 | conflict |
| Ile 258 | Thr 312 | conflict |
| Thr 268 | Cys 322 | conflict |
| Lys 301 | Arg 355 | conflict |
| Ile 337 | Leu 391 | conflict |
| Gln 339 | Glu 393 | conflict |
| Thr 390 | Val 444 | conflict |
| Ala 403 | Asn 457 | conflict |
| Tyr 408 | Trp 462 | conflict |
| Thr 413 | Val 467 | conflict |
| Ala 414 | Ile 468 | conflict |
| Gly 415 | Ser 469 | conflict |
| Glu 417 | Gln 471 | conflict |
| Leu 434 | Asn 488 | conflict |
| Ser 436 | Asp 490 | conflict |
| Asn 441 | Cys 495 | conflict |
| Ile 446 | Val 500 | conflict |
| Ser 489 | Lys 543 | conflict |
| Gln 491 | Arg 545 | conflict |
| Asn 501 | Lys 555 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 56389.0 | |
| Branched | Number of molecules | 1 |
| Total formula weight | 424.4 | |
| Non-Polymers* | Number of molecules | 14 |
| Total formula weight | 1838.1 | |
| All* | Total formula weight | 58651.5 |
