3VI4
Crystal structure of alpha5beta1 integrin headpiece in complex with RGD peptide
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, C (A, C) | Integrin alpha-5 | polymer | 632 | 68188.5 | 2 | UniProt (P08648) Pfam (PF01839) Pfam (PF08441) | Homo sapiens (human) | CD49 antigen-like family member E, Fibronectin receptor subunit alpha, Integrin alpha-F, VLA-5, Integrin alpha-5 heavy chain, Integrin alpha-5 light chain |
| 2 | B, D (B, D) | Integrin beta-1 | polymer | 454 | 50562.0 | 2 | UniProt (P05556) Pfam (PF17205) Pfam (PF00362) | Homo sapiens (human) | Fibronectin receptor subunit beta, VLA-4 subunit beta |
| 3 | E, G (L, E) | SG/19 Fab fragment (Light chain) | polymer | 219 | 24216.0 | 2 | Mus musculus (mouse) | ||
| 4 | F, H (H, F) | SG/19 Fab fragment (Heavy chain) | polymer | 218 | 23478.4 | 2 | Mus musculus (mouse) | ||
| 5 | I, J (G, I) | RGD peptide | polymer | 5 | 558.6 | 2 | |||
| 6 | K, M (J, M) | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 424.4 | 2 | In PDB GlyTouCan (G42666HT) | |||
| 7 | L, N (K, N) | alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 1073.0 | 2 | In PDB GlyTouCan (G09724ZC) | |||
| 8 | AA, BA, CA, DA, IA... (C, D, A, B) | CALCIUM ION | non-polymer | 40.1 | 10 | Chemie (CA) | |||
| 9 | EA, FA, GA, HA, KA... (C, D, A, B) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 11 | Chemie (NAG) | |||
| 10 | JA, X (D, B) | MAGNESIUM ION | non-polymer | 24.3 | 2 | Chemie (MG) |
Sequence modifications
A, C: 1 - 623 (UniProt: P08648)
B, D: 1 - 445 (UniProt: P05556)
| PDB | External Database | Details |
|---|---|---|
| Gly 624 | - | expression tag |
| Gly 625 | - | expression tag |
| Leu 626 | - | expression tag |
| Glu 627 | - | expression tag |
| Asn 628 | - | expression tag |
| Leu 629 | - | expression tag |
| Tyr 630 | - | expression tag |
| Phe 631 | - | expression tag |
| Gln 632 | - | expression tag |
| PDB | External Database | Details |
|---|---|---|
| His 92 | Thr 112 | SEE REMARK 999 |
| Thr 195 | Ser 215 | SEE REMARK 999 |
| Gly 446 | - | expression tag |
| Gly 447 | - | expression tag |
| Leu 448 | - | expression tag |
| Glu 449 | - | expression tag |
| Asn 450 | - | expression tag |
| Leu 451 | - | expression tag |
| Tyr 452 | - | expression tag |
| Phe 453 | - | expression tag |
| Gln 454 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 10 |
| Total formula weight | 334007.0 | |
| Branched | Number of molecules | 4 |
| Total formula weight | 2994.7 | |
| Non-Polymers* | Number of molecules | 23 |
| Total formula weight | 2882.7 | |
| All* | Total formula weight | 339884.4 |
