8W30
Crystal structure of alpha-V beta-1 integrin headpiece in complex with TR01225179
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) | Integrin alpha-V heavy chain | polymer | 605 | 66498.6 | 1 | UniProt (P06756) Pfam (PF01839) Pfam (PF08441) | Homo sapiens (human) | |
| 2 | B (B) | Integrin beta-1 | polymer | 456 | 50757.1 | 1 | UniProt (P05556) Pfam (PF17205) Pfam (PF00362) | Homo sapiens (human) | Fibronectin receptor subunit beta,Glycoprotein IIa,GPIIA,VLA-4 subunit beta |
| 3 | C (C) | 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) | |||
| 4 | D (D) | 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 | 1 | In PDB GlyTouCan (G09724ZC) | |||
| 5 | E, F, G, H, L... (A, B) | CALCIUM ION | non-polymer | 40.1 | 6 | Chemie (CA) | |||
| 6 | I, J, K, N, O (A, B) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 5 | Chemie (NAG) | |||
| 7 | P (B) | N-(2,4-dichlorobenzoyl)-L-phenylalanine | non-polymer | 338.2 | 1 | Chemie (A1AFA) | |||
| 8 | Q, R (A, B) | water | water | 18.0 | 24 | Chemie (HOH) |
Sequence modifications
A: 1 - 595 (UniProt: P06756)
B: 1 - 445 (UniProt: P05556)
| PDB | External Database | Details |
|---|---|---|
| Gly 596 | - | expression tag |
| Thr 597 | - | expression tag |
| Gly 598 | - | expression tag |
| Gly 599 | - | expression tag |
| Leu 600 | - | expression tag |
| Glu 601 | - | expression tag |
| Val 602 | - | expression tag |
| Leu 603 | - | expression tag |
| Phe 604 | - | expression tag |
| Gln 605 | - | expression tag |
| PDB | External Database | Details |
|---|---|---|
| Asp 446 | - | expression tag |
| Thr 447 | - | expression tag |
| Ser 448 | - | expression tag |
| Gly 449 | - | expression tag |
| Leu 450 | - | expression tag |
| Glu 451 | - | expression tag |
| Asn 452 | - | expression tag |
| Leu 453 | - | expression tag |
| Tyr 454 | - | expression tag |
| Phe 455 | - | expression tag |
| Gln 456 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 117255.7 | |
| Branched | Number of molecules | 2 |
| Total formula weight | 1659.5 | |
| Non-Polymers* | Number of molecules | 12 |
| Total formula weight | 1684.7 | |
| All* | Total formula weight | 120599.9 |
