9YO7
Crystal structure of integrin a4b1 headpiece in complex with DS 13g (Mg)
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-4,Integrin alpha-V | polymer | 588 | 64603.8 | 1 | UniProt (P13612) UniProt (P06756) | Homo sapiens (human) | |
| 2 | B (B) | Integrin beta | polymer | 450 | 49927.3 | 1 | UniProt (A0A7I2V2F9) | Homo sapiens (human) | |
| 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) | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 424.4 | 1 | In PDB GlyTouCan (G42666HT) | |||
| 5 | E (E) | alpha-D-mannopyranose-(1-3)-1-deoxy-alpha-D-mannopyranose | branched | 326.3 | 1 | In PDB | |||
| 6 | F, G, H, M, N (A, B) | CALCIUM ION | non-polymer | 40.1 | 5 | Chemie (CA) PubChem (271) | |||
| 7 | I, J, K, P, Q (A, B) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 5 | Chemie (NAG) PubChem (24139) | |||
| 8 | L (B) | MAGNESIUM ION | non-polymer | 24.3 | 1 | Chemie (MG) PubChem (888) | |||
| 9 | O (B) | (4-{[(2S)-1-({4-[(2-methylphenyl)carbamamido]phenyl}acetyl)pyrrolidin-2-yl]methyl}piperazin-1-yl)acetic acid | non-polymer | 493.6 | 1 | Chemie (A1CYS) | |||
| 10 | R, S (A, B) | water | water | 18.0 | 223 | Chemie (HOH) |
Sequence modifications
A: 1 - 433 (UniProt: P13612)
A: 434 - 588 (UniProt: P06756)
B: 3 - 456 (UniProt: A0A7I2V2F9)
| PDB | External Database | Details |
|---|---|---|
| Phe 1 | Tyr 34 | conflict |
B: 3 - 456 (UniProt: A0A7I2V2F9)
| PDB | External Database | Details |
|---|---|---|
| Thr 3 | Asp 23 | conflict |
| Thr 195 | Ser 211 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 114531.2 | |
| Branched | Number of molecules | 3 |
| Total formula weight | 1337.2 | |
| Non-Polymers* | Number of molecules | 12 |
| Total formula weight | 1824.3 | |
| All* | Total formula weight | 117692.8 |
